SCHEMBL6028461

SCHEMBL6028461

CCN(C(=O)O)n1cnc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
KDM4E B2RXH2 3/20 0.41
CYP2E1 P05181 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2A6 P11509 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
LDHA P00338 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2690728 0.88 CYP2A6 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2524459 0.73 KMT2A (0.46) FAAHKDM4EKMT2ALMNAADORA1
SCHEMBL2690192 0.71 CYP2A6 (0.51) KDM4ECYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2181000 0.70 FAAH (0.64) FAAHCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1907307 0.70 FAAH (0.53) FAAHKDM4ECYP3A4CYP2C9CYP2C19
SCHEMBL2910946 0.70 CYP2E1 (0.67) FAAHCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2731600 0.70 CYP2A6 (0.56) FAAHKDM4ECYP2E1CYP3A4CYP2A6
SCHEMBL10645106 0.69 FAAH (0.56) FAAHKDM4ECYP2E1CYP2A6CYP2C9
SCHEMBL2182501 0.69 ADORA1 (0.51) FAAHKDM4EKMT2ALMNAADORA1
SCHEMBL27582587 0.69 FAAH (0.43) FAAHKDM4ECYP2E1CYP3A4CYP2A6

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
EP-1720829-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS Sanofi-Aventis (FR) 2006-11-15 EP disclosed
WO-2005090292-A1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2005-09-29 WO disclosed