SCHEMBL8133702

SCHEMBL8133702

c1ccc(NCCN2CCN(c3cccc4[nH]ccc34)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.55
DRD3 P35462 8/20 0.55
DRD4 P21917 1/20 0.55
ADRA1A P35348 7/20 0.54
GAA P10253 3/20 0.51
MAPT P10636 1/20 0.51
HTR6 P50406 5/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
HTR7 P34969 4/20 0.46
GOT1 P17174 1/20 0.45
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8131064 0.81 GOT1 (0.53) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL5423525 0.80 DRD2 (0.52) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL5423523 0.80 DRD2 (0.52) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL14489544 0.80 DRD2 (0.47) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL976063 0.79 ADRA1A (0.73) DRD2DRD3ADRA1AHTR1A
SCHEMBL7461517 0.79 DRD2 (0.45) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL7471431 0.79 DRD2 (0.50) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL7471426 0.79 DRD2 (0.50) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL7461524 0.79 DRD2 (0.45) DRD2DRD3DRD4ADRA1AGAA
SCHEMBL6481719 0.78 DRD2 (0.58) DRD2DRD3DRD4ADRA1AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP 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