SCHEMBL9163369

SCHEMBL9163369

CO/C=C(\C(=O)OC)N(C)c1cccc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 2/20 0.39
MAPKAPK2 P49137 1/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN2A Q99250 2/20 0.35
SCN10A Q9Y5Y9 2/20 0.35

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
SCHEMBL9865578 1.00 CNR1 (0.45) CNR1NPC1RAB9AMAPTNFKB1
SCHEMBL8737258 1.00 CNR1 (0.45) CNR1NPC1RAB9AMAPTNFKB1
SCHEMBL9163380 0.91 CNR1 (0.46) CNR1NPC1RAB9AMAPTNFKB1
SCHEMBL9741684 0.89 CNR1 (0.46) CNR1NPC1RAB9AMAPTNFKB1
SCHEMBL9378711 0.89 CNR1 (0.46) CNR1NPC1RAB9AMAPTNFKB1
SCHEMBL9399353 0.89 USP30 (0.43) CNR1RAB9ACNR2
SCHEMBL7527226 0.89 USP30 (0.43) CNR1RAB9ACNR2
SCHEMBL9191662 0.88 CNR1 (0.45) CNR1NPC1RAB9AMAPTNFKB1
SCHEMBL9550193 0.88 CNR1 (0.45) CNR1NPC1RAB9AMAPTNFKB1
SCHEMBL9866708 0.88 CNR1 (0.40) CNR1

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-5434267-A Process for the preparation of substituted 3-alkoxyacrylates BAYER AKTIENGESELLSCHAFT (DE) 1995-07-18 US disclosed
US-5196541-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-AMINOACRYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed