SCHEMBL7981944

SCHEMBL7981944

CCC(=O)N(c1ccccc1)c1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.46
OPRM1 P35372 9/20 0.45
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL11464553 0.89 MEN1 (0.50) OPRM1POLBHTTNPSR1KMT2A
SCHEMBL7978941 0.88 TP53 (0.51) PTGIRPOLBHTTNPSR1KMT2A
SCHEMBL7980404 0.85 LTB4R2 (0.43) PTGIRPOLBHTTNPSR1KMT2A
SCHEMBL28682606 0.84 PTGIR (0.44) PTGIRPOLBHTTNPSR1KMT2A
SCHEMBL7980229 0.84 NPC1 (0.66) PTGIRPOLBHTTNPSR1KMT2A
SCHEMBL7982394 0.84 PTGIR (0.46) PTGIRPOLBHTTNPSR1KMT2A
SCHEMBL7981765 0.83 PTGIR (0.49) PTGIROPRM1POLBHTTNPSR1
SCHEMBL11464552 0.82 OPRM1 (0.47) OPRM1POLBHTTNPSR1KMT2A
SCHEMBL2170751 0.82 OPRM1 (0.38) PTGIROPRM1POLBHTTNPSR1
SCHEMBL19512684 0.81 NPSR1 (0.47) PTGIRPOLBHTTNPSR1KMT2A

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-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
CN-1252068-A 3-piperidyl-4-oxoquinazoline derivatives and pharmaceutical compositions containing the same JAPAN TOBACCO INC (JP) 2000-05-03 CN disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed