SCHEMBL7046586

SCHEMBL7046586

CC(C)(C)NC(=O)c1nc(Cc2ccc(Cl)cc2)c(Cc2ccc(Cl)cc2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 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
SCHEMBL7045001 0.88 SMN1; SMN2 (0.42) L3MBTL1GAANPC1POLBSMN1; SMN2
SCHEMBL7044697 0.79 RHEB (0.45) NPC1POLBSMN1; SMN2RAB9ALMNA
SCHEMBL7046457 0.77 ALOX15 (0.48) CNR1L3MBTL1CYP1A2POLBRXFP1
SCHEMBL7042512 0.76 CNR1 (0.58) CNR1NPC1SMN1; SMN2RAB9ATP53
SCHEMBL7043397 0.76 CNR1 (0.58) CNR1KMT2AL3MBTL1NPC1MEN1
SCHEMBL7044623 0.74 NPC1 (0.43) CNR1L3MBTL1GAANPC1POLB
SCHEMBL7041750 0.72 CNR1 (0.44) CNR1KMT2AALPLNPC1
SCHEMBL4079971 0.71 CNR1 (0.59) MAPTCNR1ALPLSMN1; SMN2LMNA
SCHEMBL7042642 0.71 ALOX5 (0.57) MAPTKMT2AL3MBTL1CYP1A2CYP2C19
SCHEMBL7044713 0.69 RXFP1 (0.41) L3MBTL1GAANPC1POLBSMN1; SMN2

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
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed