SCHEMBL8969534

SCHEMBL8969534

CSc1cccc2c1N=C1C3CCC(C3)N1C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.31
KDR P35968 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL8969213 0.80 ACHE (0.40)
SCHEMBL8970388 0.80 CTSD (0.33)
SCHEMBL8970272 0.74
SCHEMBL8969639 0.72 OPRL1 (0.33)
SCHEMBL8968749 0.71 CTSD (0.38)
SCHEMBL8969463 0.69 HTR2A (0.33)
SCHEMBL8970250 0.69 HTR2C (0.32)
SCHEMBL8969039 0.68 OPRM1 (0.31)
SCHEMBL8968664 0.67 KLK7 (0.32)
SCHEMBL8969496 0.67 HTR2C (0.36)

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