SCHEMBL8968949

SCHEMBL8968949

CSc1ccc2c(c1)N=C1C3CCC(C3)N1C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CTSD P07339 4/20 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
SCHEMBL8969737 0.90 OPRM1 (0.31) OPRM1OPRL1
SCHEMBL8969263 0.83 CTSD (0.33) CTSD
SCHEMBL8969499 0.80 CTSD (0.49) CTSD
SCHEMBL8969419 0.77
SCHEMBL8969764 0.75 PDE3B (0.34)
SCHEMBL8969582 0.74
SCHEMBL8970140 0.74 CTSD (0.32) CTSD
SCHEMBL8969633 0.74 CTSD (0.41) CTSD
SCHEMBL8968239 0.73
SCHEMBL8969504 0.72 ACHE (0.40) CTSD

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