SCHEMBL9490171

SCHEMBL9490171

COc1cccc(C[N]Cc2cccc(OC)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
IDO1 P14902 2/20 0.60
AGXT P21549 2/20 0.60
CHRM2 P08172 3/20 0.56
CHRM1 P11229 2/20 0.56
CHRM3 P20309 2/20 0.56
CMA1 P23946 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
MAOB P27338 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
AOC3 Q16853 1/20 0.53
LPO P22079 1/20 0.51

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
SCHEMBL3004829 0.88 TAAR1 (0.56) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL15219801 0.86 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL11488999 0.86 TAAR1 (0.55) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL30080050 0.82 TAAR1 (0.77) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL2099512 0.82 CHRM2 (0.66) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL723511 0.82 TAAR1 (0.77) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL7636634 0.81 GRIN2B (0.67) TAAR1IDO1AGXT
3-Methoxybenxyl Isothiocyanate SCHEMBL1551644 0.81 MIF (0.64) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL30394051 0.81 TAAR1 (0.50) TAAR1IDO1AGXTCHRM2CHRM1
SCHEMBL16401448 0.81 TAAR1 (0.50) TAAR1IDO1AGXTCHRM2CHRM1

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-5233089-A Charge transport material; used in electrophotographic plates to provide improved sensitivity, photoresponse and durability HITACHI, LTD. (JP) 1993-08-03 US disclosed
EP-0273426-B1 ENAMINE DERIVATIVES, PRODUCTION THEREOF AND ELECTROPHOTOGRAPHIC PLATES CONTAINING THE SAME Hitachi Chemical Co., Ltd. (JP) 1993-03-17 EP disclosed
EP-0273426-A2 Enamine derivatives, production thereof and electrophotographic plates containing the same Hitachi Chemical Co., Ltd. (JP) 1988-07-06 EP disclosed