SCHEMBL6546284

SCHEMBL6546284

COC(CNc1ccccn1)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.54
▸ FDPS P14324 1/20 0.53
▸ CXCR4 P61073 1/20 0.50
▸ CYP2C19 P33261 1/20 0.49
▸ FABP1 P07148 1/20 0.49
▸ FABP6 P51161 1/20 0.49
▸ PCSK9 Q8NBP7 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL10830140 0.84 CYP2D6 (0.53) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL7448193 0.79 CYP2D6 (0.59) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL17700255 0.79 CYP2D6 (0.48) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL4281005 0.78 CYP2D6 (0.72) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL1831588 0.76 CYP2D6 (0.56) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL5845328 0.76 CYP2D6 (0.65) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL6800071 0.76 CYP2D6 (0.65) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL14198659 0.76 CYP2D6 (0.56) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL19935946 0.76 CYP2D6 (0.56) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL13753840 0.76 FDPS (0.54) CYP2D6FDPSCXCR4CYP2C19FABP1

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 7 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 disclosed
US-6271234-B1 DERIVATIVES WHICH BIND TO SEROTONERGIC RECEPTORS; TREATING DISORDERS OF THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-08-07 — — US disclosed
EP-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 — — 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
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 — — WO 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
Send feedback