SCHEMBL8969639

SCHEMBL8969639

Clc1ccc2c(c1Cl)N=C1C3CCC(C3)N1C2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.33
OPRM1 P35372 13/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CTSD P07339 2/20 0.30

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
SCHEMBL8968379 0.86 HTR2A (0.38) OPRL1OPRM1
SCHEMBL8969213 0.83 ACHE (0.40) OPRL1OPRM1OPRD1OPRK1CTSD
SCHEMBL8969727 0.82 CTSD (0.32) CTSD
SCHEMBL8969666 0.80 CTSD (0.34) OPRL1OPRM1OPRD1OPRK1CTSD
SCHEMBL8969903 0.78 PDE3B (0.45) OPRL1OPRM1CTSD
SCHEMBL8969468 0.78 HTR2A (0.30)
SCHEMBL8968664 0.78 KLK7 (0.32)
SCHEMBL8969039 0.76 OPRM1 (0.31) OPRL1OPRM1
SCHEMBL8969608 0.76 OPRM1 (0.33) OPRL1OPRM1
SCHEMBL8969072 0.76 OPRM1 (0.36) OPRL1OPRM1OPRD1OPRK1CTSD

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