SCHEMBL8969723

SCHEMBL8969723

Cc1cccc2c1N=C1C3CCC(C3)N1C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.36
HTR2B P41595 5/20 0.36
HTR2A P28223 4/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
TGFBR1 P36897 4/20 0.31
KDR P35968 1/20 0.31
MAPK14 Q16539 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A4 P31645 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
SCHEMBL8969468 0.83 HTR2A (0.30) HTR2CHTR2BHTR2A
SCHEMBL8969213 0.83 ACHE (0.40) HTR2CHTR2BHTR2AOPRM1OPRL1
SCHEMBL8969095 0.82 HTR2C (0.36) HTR2CHTR2BHTR2ASLC6A2SLC6A3
SCHEMBL8969463 0.81 HTR2A (0.33) HTR2CHTR2BHTR2A
SCHEMBL8968570 0.80 HTR2C (0.36) HTR2CHTR2BHTR2A
SCHEMBL8970250 0.80 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL8968379 0.78 HTR2A (0.38) HTR2CHTR2BHTR2AOPRM1OPRL1
SCHEMBL8969496 0.78 HTR2C (0.36) HTR2CHTR2BHTR2AOPRM1OPRL1
SCHEMBL8969072 0.76 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL8969639 0.75 OPRL1 (0.33) OPRM1OPRL1

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