SCHEMBL8969577

SCHEMBL8969577

Cc1ccc2c(c1)N=C1C3CC4CC(C3)CC(C4)N1C2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 8/20 0.34
HTR2C P28335 4/20 0.34
HTR2A P28223 3/20 0.34
HTR2B P41595 3/20 0.34
HTR6 P50406 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
SCHEMBL8968791 0.89 HTR2A (0.34) HTR2CHTR2AHTR2B
SCHEMBL8969466 0.85 CTSD (0.49) CTSDHTR2CHTR2AHTR2B
SCHEMBL8969760 0.84 CTSD (0.34) CTSD
SCHEMBL8969704 0.84 HTR2C (0.36) CTSDHTR2CHTR2BHTR6
SCHEMBL8969263 0.82 CTSD (0.33) CTSDHTR2CHTR2AHTR2B
SCHEMBL8969065 0.81 CTSD (0.51) CTSDHTR2CHTR2AHTR2BHTR6
SCHEMBL9540235 0.80 CTSD (0.47) CTSD
SCHEMBL8969194 0.78 CTSD (0.33) CTSD
SCHEMBL8968314 0.77 PDE3B (0.40) CTSDHTR2CHTR2AHTR2B
SCHEMBL8968336 0.76

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