SCHEMBL8969468

SCHEMBL8969468

Cc1ccc2c(c1C)N=C1C3CCC(C3)N1C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 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
SCHEMBL8969723 0.83 HTR2C (0.36) HTR2AHTR2CHTR2B
SCHEMBL8970250 0.80 HTR2C (0.32) HTR2AHTR2CHTR2B
SCHEMBL8969639 0.78 OPRL1 (0.33)
SCHEMBL8969463 0.78 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL8968760 0.78 PDE3B (0.34) HTR2AHTR2CHTR2B
SCHEMBL8968749 0.76 CTSD (0.38)
SCHEMBL8969608 0.76 OPRM1 (0.33)
SCHEMBL8969072 0.76 OPRM1 (0.36)
SCHEMBL8969263 0.75 CTSD (0.33) HTR2AHTR2CHTR2B
SCHEMBL8969213 0.75 ACHE (0.40) HTR2AHTR2CHTR2B

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