SCHEMBL7044199

SCHEMBL7044199

Cc1ccc(-c2nc(C(=O)N(C)C3CCCCC3)[nH]c2-c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.52
CNR1 P21554 4/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
TP53 P04637 2/20 0.43
POLB P06746 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7043396 0.89 CNR1 (0.61) S1PR1CNR1ALDH1A1POLBNPC1
SCHEMBL7046176 0.89 NPC1 (0.51) CNR1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7044620 0.81 KDM4E (0.49) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7043234 0.79 CNR1 (0.60) CNR1NPC1RAB9AHPGDTSHR
SCHEMBL7044676 0.79 CNR1 (0.54) CNR1ALDH1A1SMN1; SMN2POLBNPC1
SCHEMBL7044597 0.79 CNR1 (0.63) CNR1NPC1RAB9A
SCHEMBL6552429 0.79 CNR1 (0.63) CNR1NPC1RAB9A
SCHEMBL7044215 0.77 CNR1 (0.61) CNR1NPC1RAB9A
SCHEMBL7044998 0.76 KDM4E (0.45) CNR1ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7042639 0.74 HPGD (0.52) CNR1ALDH1A1KDM4EMAPTSMN1; 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