SCHEMBL8969466

SCHEMBL8969466

Clc1ccc2c(c1)N=C1C3CC4CC(C3)CC(C4)N1C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 9/20 0.49
ACHE P22303 1/20 0.40
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
HTR2A P28223 3/20 0.38

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
SCHEMBL8968314 0.89 PDE3B (0.40) CTSDACHEHTR2CHTR2BHTR2A
SCHEMBL8969704 0.85 HTR2C (0.36) CTSDHTR2CHTR2B
SCHEMBL8969577 0.85 CTSD (0.34) CTSDHTR2CHTR2BHTR2A
SCHEMBL8969760 0.85 CTSD (0.34) CTSD
SCHEMBL8969194 0.84 CTSD (0.33) CTSD
SCHEMBL8969499 0.83 CTSD (0.49) CTSDACHEHTR2CHTR2BHTR2A
SCHEMBL8969065 0.82 CTSD (0.51) CTSDHTR2CHTR2BHTR2A
SCHEMBL9540235 0.81 CTSD (0.47) CTSDACHE
SCHEMBL8968679 0.81 CTSD (0.47) CTSDACHEHTR2CHTR2BHTR2A
SCHEMBL8968564 0.78 CTSD (0.30) 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 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