SCHEMBL7044699

SCHEMBL7044699

Cc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)[nH]c2-c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.60
PIN1 Q13526 2/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
TSPO P30536 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
SCHEMBL7044710 0.81 KDM4E (0.43) CNR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL7042639 0.81 HPGD (0.52) CNR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL7044620 0.81 KDM4E (0.49) CNR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL7048218 0.78
SCHEMBL7044998 0.76 KDM4E (0.45) CNR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL7044567 0.74 CSNK2A2 (0.47)
SCHEMBL7047758 0.73 KDM4E (0.51) CNR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL3455399 0.72 LIMK2 (0.69) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL7044199 0.71 S1PR1 (0.52) CNR1ALDH1A1KMT2AMEN1HPGD
SCHEMBL7232273 0.71 ALOX5 (0.73) ALDH1A1KMT2AMEN1HPGDSMN1; 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