SCHEMBL6027499

SCHEMBL6027499

CCN(C(=O)O)c1cc(-c2ccc(Cl)cc2)nc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 3/20 0.43
CXCL12 P48061 1/20 0.43
ADORA3 P0DMS8 3/20 0.42
KMO O15229 2/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALPL P05186 1/20 0.40
DHODH Q02127 1/20 0.40
MCL1 Q07820 1/20 0.39
VCP P55072 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
SCHEMBL2840069 0.80 KMO (0.54) CTRCADORA3KMOKMT2ACYP3A4
SCHEMBL6027661 0.72 SMN1; SMN2 (0.60) MAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL2839700 0.69 KDM4E (0.48) CTRCCXCL12ADORA3KMOKMT2A
SCHEMBL17826985 0.69 CXCL12 (0.49) CTRCCXCL12ADORA3KMT2AMAPT
SCHEMBL2614936 0.68 CXCL12 (0.54) CXCL12ADORA3KMOKMT2AMAPT
SCHEMBL3646180 0.68 CYP3A4 (0.65) KMT2ATP53CYP3A4ALDH1A1
SCHEMBL18604297 0.68 MAPT (0.54) MAPTTP53CYP3A4ALDH1A1
SCHEMBL2836839 0.68 CTRC (0.45) CTRCCXCL12ADORA3KMOKMT2A
SCHEMBL2841068 0.67 CTRC (0.44) CTRCCXCL12ADORA3KMOKMT2A
SCHEMBL13066924 0.67 KMO (0.52) CTRCCXCL12ADORA3KMOKMT2A

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