SCHEMBL2840069

SCHEMBL2840069

CCN(C(=O)O)c1cc(-c2ccc(Cl)cc2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 9/20 0.54
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.42
MAP4K4 O95819 1/20 0.40
FAAH O00519 1/20 0.40
CTRC Q99895 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALPL P05186 2/20 0.38
CNR1 P21554 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CA12 O43570 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
SCHEMBL6027499 0.80 CTRC (0.43) KMOKMT2ACYP3A4CTRCSMN1; SMN2
Hydrochloric Acid SCHEMBL11781329 0.79 KMT2A (0.72) KMOKMT2ACYP3A4FAAHSMN1; SMN2
SCHEMBL18604297 0.75 MAPT (0.54) CYP3A4ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11781344 0.73 KMT2A (0.56) KMOKMT2ACYP3A4FAAHALDH1A1
Hydrochloric Acid SCHEMBL11790707 0.73 CYP1A2 (0.49) KMOKMT2ACYP3A4FAAHSMN1; SMN2
SCHEMBL6027661 0.73 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11786073 0.71 KMO (0.44) KMOKMT2ACYP3A4MAP4K4FAAH
SCHEMBL14742295 0.70 KMO (1.00) KMO
SCHEMBL20137308 0.70 KMO (0.63) KMOMAP4K4FAAHSMN1; SMN2
SCHEMBL3646180 0.69 CYP3A4 (0.65) KMT2ACYP3A4ALDH1A1CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251324-A1 HETEROARYL-ALKYLCARBAMATE COMPOUNDS AND THEIR USE AS INHIBITORS OF THE FAAH ENZYME Sanofi-Aventis (FR) 2010-11-17 EP disclosed
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