SCHEMBL7044713

SCHEMBL7044713

CCCNC(=O)c1nc(Cc2ccc(C)cc2)c(Cc2ccc(C)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TP53 P04637 1/20 0.38
TGFBR1 P36897 1/20 0.38
GFER P55789 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7048220 0.90 L3MBTL1 (0.53) RXFP1L3MBTL1HPGDGFERLMNA
SCHEMBL7044700 0.82 SMN1; SMN2 (0.52) RXFP1NPC1RAB9APOLBL3MBTL1
SCHEMBL7045001 0.81 SMN1; SMN2 (0.42) RXFP1NPC1RAB9APOLBL3MBTL1
SCHEMBL7046457 0.80 ALOX15 (0.48) RXFP1POLBL3MBTL1HPGDLMNA
SCHEMBL6551997 0.79 PIN1 (0.45) RXFP1RAB9ATP53LMNAKDM4E
SCHEMBL7044570 0.79 NAAA (0.52) RXFP1POLBL3MBTL1HPGDTP53
SCHEMBL7044996 0.79 TRPM8 (0.46) NPC1RAB9AHPGDLMNAKDM4E
SCHEMBL7044203 0.78 SMN1; SMN2 (0.51) NPC1RAB9APOLBHPGDTP53
SCHEMBL6552063 0.76 CNR1 (0.46) RXFP1POLBTP53LMNAKDM4E
SCHEMBL7042653 0.74 CYP2D6 (0.53) NPC1RAB9APOLBL3MBTL1LMNA

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