SCHEMBL9539012

SCHEMBL9539012

COc1ccc(CN2C(=O)NC(C)(C3CC3)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.51
SCN9A Q15858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CMA1 P23946 1/20 0.46
MMP12 P39900 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
GSK3B P49841 2/20 0.45
EDNRB P24530 1/20 0.44
EDNRA P25101 1/20 0.44
LMNA P02545 1/20 0.44
GSK3A P49840 1/20 0.44
BLM P54132 1/20 0.44
CASP3 P42574 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
APAF1 O14727 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
SCHEMBL14501653 0.84 SCN9A (0.55) OPRL1SCN9AL3MBTL1MEN1KMT2A
SCHEMBL16109588 0.80 SCN9A (0.56) SCN9AL3MBTL1CMA1MMP12ADAMTS5
SCHEMBL9540132 0.80 SCN9A (0.54) OPRL1SCN9AL3MBTL1MEN1KMT2A
SCHEMBL15973943 0.80 HTT (0.50) OPRL1L3MBTL1MEN1KMT2AMAPT
SCHEMBL15974395 0.79 HTT (0.49) OPRL1L3MBTL1MEN1KMT2AMAPT
SCHEMBL17377477 0.76 SCN9A (0.63) OPRL1SCN9AL3MBTL1MAPTCMA1
SCHEMBL9541552 0.75 PTGDR2 (0.49) OPRL1SCN9AL3MBTL1MEN1KMT2A
SCHEMBL25430199 0.75 SCN9A (0.65) OPRL1SCN9AL3MBTL1MAPTCMA1
SCHEMBL17416402 0.74 OPRL1 (0.70) OPRL1SCN9AL3MBTL1MAPTCMA1
SCHEMBL16812434 0.74 OPRL1 (0.60) OPRL1SCN9AL3MBTL1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993004047-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE MERCK & CO., INC. (US) 1993-03-04 WO disclosed