SCHEMBL7044710

SCHEMBL7044710

CCCN(C)C(=O)c1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
BRAF P15056 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
CNR1 P21554 1/20 0.38
MAPK13 O15264 1/20 0.37
GCGR P47871 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
MITF O75030 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
SCHEMBL7048218 0.90
SCHEMBL7044620 0.84 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL7044699 0.81 CNR1 (0.60) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL7046455 0.80 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL7044567 0.79 CSNK2A2 (0.47)
SCHEMBL7044998 0.79 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL7042639 0.77 HPGD (0.52) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL7044199 0.74 S1PR1 (0.52) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL7042652 0.73 ALDH1A1 (0.42) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL7046656 0.70 CNR1 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2CNR1

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