SCHEMBL6546338

SCHEMBL6546338

O=C(C1CCCCC1)N(CCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.72
ADRA1A P35348 6/20 0.72
SMN1; SMN2 Q16637 3/20 0.71
DRD4 P21917 6/20 0.68
ADRA1B P35368 5/20 0.68
ADRA1D P25100 3/20 0.68
HTR7 P34969 3/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
TSHR P16473 1/20 0.68
HTR1B P28222 1/20 0.68
HTR2B P41595 3/20 0.67
HTR2A P28223 2/20 0.67
LMNA P02545 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6548221 0.99 HTR1A (0.71) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7607662 0.86 ADRA1A (0.52) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7723872 0.85 ADRA1A (0.51) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL13533329 0.84 OPRM1 (0.55) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL13533328 0.84 OPRM1 (0.55) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL8013725 0.84 HTR1A (1.00) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7607460 0.83 HTR1A (0.49) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
SCHEMBL7610554 0.83 HTR1A (0.61) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
Hydrochloric Acid SCHEMBL29989604 0.83 HTR1A (0.98) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B
Hydrochloric Acid SCHEMBL7540928 0.83 DRD2 (0.48) HTR1AADRA1ASMN1; SMN2DRD4ADRA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906100-B1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI CHEM PHARM (CH) 2004-01-28 EP claimed
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP claimed
US-5990114-A ADMINISTERING 1,4-SUBSTITUTED PIPERAZINE DERIVATIVES OF GIVEN FORMULA TO TREAT NEUROMUSCULAR DYSFUNCTION OF THE LOWER URINARY TRACT; BOTH PRE- AND POST-SYNAPTIC ANTAGONISM; SUCH AS 1-(2-((2-PYRIDYLAMINO)ETHYL)-4-(4-INDOLYL)PIPERAZINE RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-11-23 US claimed
EP-0906100-A1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1999-04-07 EP claimed
US-5723464-A CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY OR DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US claimed
WO-1997031637-A1 USE OF 5-HT1A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-09-04 WO claimed
EP-0763031-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP claimed
WO-1995033743-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO claimed
EP-0906100-B1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI CHEM PHARM (CH) 2004-01-28 EP disclosed
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP disclosed
US-5990114-A ADMINISTERING 1,4-SUBSTITUTED PIPERAZINE DERIVATIVES OF GIVEN FORMULA TO TREAT NEUROMUSCULAR DYSFUNCTION OF THE LOWER URINARY TRACT; BOTH PRE- AND POST-SYNAPTIC ANTAGONISM; SUCH AS 1-(2-((2-PYRIDYLAMINO)ETHYL)-4-(4-INDOLYL)PIPERAZINE RECORDATI, S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-11-23 US disclosed
EP-0906100-A1 USE OF 5-HT 1A? RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 1999-04-07 EP disclosed
US-5723464-A CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY OR DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed
WO-1997031637-A1 USE OF 5-HT1A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF URINARY INCONTINENCE RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1997-09-04 WO disclosed
EP-0763031-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033743-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO disclosed