SCHEMBL8969189

SCHEMBL8969189

Clc1cccc2c1N=C1C3CC4CC(C3)CC(C4)N1C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
HTR2C P28335 4/20 0.34
HTR2B P41595 3/20 0.34
HTR2A P28223 3/20 0.34
CTSD P07339 2/20 0.34
MAPT P10636 1/20 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
SCHEMBL8969095 0.84 HTR2C (0.36) HTR2CHTR2BHTR2A
SCHEMBL8969334 0.84
SCHEMBL8969208 0.82 KLK7 (0.32) HTR2CHTR2A
SCHEMBL8969213 0.82 ACHE (0.40) ACHEHTR2CHTR2BHTR2ACTSD
SCHEMBL8968334 0.81 HTR2A (0.31) HTR2CHTR2BHTR2ACTSD
SCHEMBL8968449 0.81 HTR2C (0.38) HTR2CHTR2BHTR2ACTSD
SCHEMBL8968432 0.78 CTSD (0.48) ACHEHTR2CHTR2BHTR2ACTSD
SCHEMBL9540235 0.77 CTSD (0.47) ACHECTSD
SCHEMBL8969194 0.75 CTSD (0.33) CTSD
SCHEMBL8969466 0.74 CTSD (0.49) ACHEHTR2CHTR2BHTR2ACTSD

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 3 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
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed