SCHEMBL8969072

SCHEMBL8969072

Cc1ccc(Cl)c2c1N=C1C3CCC(C3)N1C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.36
OPRL1 P41146 10/20 0.36
CTSD P07339 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8969608 0.90 OPRM1 (0.33) OPRM1OPRL1
SCHEMBL8969666 0.89 CTSD (0.34) OPRM1OPRL1CTSDOPRD1OPRK1
SCHEMBL8970250 0.89 HTR2C (0.32)
SCHEMBL8968350 0.82
SCHEMBL8968225 0.81 CTSD (0.33) CTSD
SCHEMBL8969145 0.81
SCHEMBL8969508 0.79 PDE3B (0.33) CTSDLMNACYP1A2CYP3A4CYP2D6
SCHEMBL8968379 0.79 HTR2A (0.38) OPRM1OPRL1
SCHEMBL8969282 0.79 CTSD (0.34) OPRM1OPRL1CTSDOPRD1OPRK1
SCHEMBL8970030 0.77 CTSD (0.50) OPRM1OPRL1CTSDOPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed