SCHEMBL2840193

SCHEMBL2840193

O=C(O)NCCCc1cc(-c2ccc(-c3ccccc3)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
JAK2 O60674 1/20 0.50
FAAH O00519 1/20 0.50
MMP2 P08253 2/20 0.49
MMP8 P22894 2/20 0.49
MMP12 P39900 2/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48
LMNA P02545 3/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 3/20 0.46

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
SCHEMBL2842157 0.96 NOTUM (0.51) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL2838237 0.88 SMN1; SMN2 (0.65) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL2840781 0.88 HDAC6 (0.47) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL2835910 0.85 SMN1; SMN2 (0.64) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL2839518 0.84 HDAC6 (0.47) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL2409090 0.81 SMN1; SMN2 (0.45) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL6401623 0.80 NOTUM (0.61) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL2411095 0.78 SMN1; SMN2 (0.44) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL13247845 0.77 NOTUM (0.70) NOTUMSMN1; SMN2L3MBTL1MMP2MMP8
SCHEMBL1586577 0.76 MMP2 (0.67) NOTUMSMN1; SMN2ALDH1A1HTTL3MBTL1

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-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