SCHEMBL8969095

SCHEMBL8969095

Cc1cccc2c1N=C1C3CC4CC(C3)CC(C4)N1C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.36
HTR2B P41595 4/20 0.36
HTR2A P28223 3/20 0.34
CNR2 P34972 1/20 0.32
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 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
SCHEMBL8969334 0.84
SCHEMBL8969189 0.84 ACHE (0.39) HTR2CHTR2BHTR2A
SCHEMBL8968449 0.81 HTR2C (0.38) HTR2CHTR2BHTR2A
SCHEMBL8969774 0.78 HTR2C (0.36) HTR2CHTR2BHTR2ACNR2
SCHEMBL9540235 0.77 CTSD (0.47) KMT2AMEN1
SCHEMBL8969727 0.76 CTSD (0.32) HTR2CHTR2BHTR2A
SCHEMBL8968791 0.73 HTR2A (0.34) HTR2CHTR2BHTR2A
SCHEMBL8969577 0.73 CTSD (0.34) HTR2CHTR2BHTR2A
SCHEMBL8969208 0.71 KLK7 (0.32) HTR2CHTR2A
SCHEMBL8968334 0.69 HTR2A (0.31) HTR2CHTR2BHTR2A

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