SCHEMBL2844564

SCHEMBL2844564

O=C(O)NCCCCc1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
MAPT P10636 8/20 0.54
POLB P06746 3/20 0.54
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 2/20 0.47
HIF1A Q16665 1/20 0.46
FAAH O00519 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CDH1 P12830 1/20 0.45
CTNNB1 P35222 1/20 0.45

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
SCHEMBL2837084 0.96 NOTUM (0.56) NOTUMMAPTPOLBCYP1A2CYP2D6
SCHEMBL2841498 0.91 NOTUM (0.58) NOTUMMAPTPOLBCYP1A2CYP2D6
SCHEMBL2413367 0.81 MAPT (0.53) NOTUMMAPTPOLBCYP1A2CYP2D6
SCHEMBL20507192 0.79 NOTUM (0.63) NOTUMMAPTPOLBCYP1A2CYP2D6
SCHEMBL2835910 0.78 SMN1; SMN2 (0.64) NOTUMMAPTPOLBCYP1A2CYP2D6
SCHEMBL3605744 0.78 HIF1A (0.44) NOTUMMAPTPOLBCYP1A2CYP2D6
SCHEMBL2411116 0.77 MAPT (0.54) NOTUMMAPTPOLBCYP1A2CYP2D6
SCHEMBL2841068 0.75 CTRC (0.44) MAPTPOLBTDP1HPGDTP53
SCHEMBL2840908 0.75 KMO (0.50) MAPTTDP1HPGDL3MBTL1TP53
SCHEMBL3594726 0.74 HIF1A (0.46) NOTUMMAPTPOLBCYP1A2CYP2D6

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 4 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-B1 DERIVATIVES OF HETEROARYL-ALKYLCARBAMATES, PREPARATION METHOD THEREOF AND USE OF SAME AS FAAH ENZYME INHIBITORS SANOFI AVENTIS (FR) 2009-10-14 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