SCHEMBL8971081

SCHEMBL8971081

NC(CCc1ccccc1)C1(c2ccccc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
TACR1 P25103 8/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR2A P28223 1/20 0.38
ANPEP P15144 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 2/20 0.35

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
SCHEMBL6991226 0.72 OPRM1 (0.50) OPRM1TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL3252178 0.70 OPRM1 (0.55) OPRM1TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL6978469 0.69 OPRM1 (0.42) OPRM1TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL4522844 0.68 OPRM1 (0.44) OPRM1TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL7794188 0.68 SLC6A4 (0.49) OPRM1SLC6A4SLC6A2SLC6A3TSHR
SCHEMBL19226675 0.68 OPRM1 (0.48) OPRM1TACR1MEN1ALDH1A1CYP2C9
SCHEMBL31216385 0.68 MAOB (0.47) SLC6A4SLC6A2SLC6A3TSHRHTR2A
SCHEMBL9790835 0.67 OPRM1 (0.52) OPRM1TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL8570543 0.67 EPHX1 (0.42) OPRM1TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL8969997 0.67 GBA1 (0.47) SLC6A4SLC6A2SLC6A3ANPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480892-A SIGMA RECEPTOR ANTAGONISTS; TREATMENT OF PHYSIOLOGICAL OR DRUG INDUCED PSYCHOSIS AND DYSKINESIA THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-02 US disclosed
US-5356906-A (N-phthalimidoalkyl) piperidines useful as treatments for psychosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-18 US disclosed
WO-1993022310-A1 (N-PHTHALIMIDOALKYL)PIPERIDINES FOR THE TREATMENT OF PSYCHOSES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-11 WO disclosed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 WO disclosed