SCHEMBL3650778

SCHEMBL3650778

CS(=O)(=O)N1CCC(c2ccc(OC(=O)N3CCN(C(=O)O)CC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.50
GAA P10253 1/20 0.45
NPY2R P49146 3/20 0.44
MMP3 P08254 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
NPY5R Q15761 1/20 0.42
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP5 P45974 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL1103989 0.87 GPR119 (0.51) FAAHALDH1A1
SCHEMBL25470925 0.76 CYP2C19 (0.61) FAAHGAANPC1RAB9AALDH1A1
SCHEMBL1103992 0.76 HTT (0.57) GAANPC1RAB9AALDH1A1HTT
SCHEMBL7225805 0.74 NPY5R (0.49) MMP3NPY5RUSP5KMT2A
SCHEMBL25316484 0.74 HTT (0.43) MMP3ALDH1A1NPY5RHTTRECQL
SCHEMBL1092345 0.74 GPR119 (0.57)
SCHEMBL23064573 0.74 ALDH1A1 (0.71) FAAHGAANPC1RAB9AALDH1A1
SCHEMBL1103987 0.74 FAAH (0.56) FAAHGAAALDH1A1HTTRECQL
SCHEMBL12745808 0.73 GAA (0.69) FAAHGAANPC1RAB9AALDH1A1
SCHEMBL28785031 0.73 ALDH1A1 (0.74) FAAHGAANPC1RAB9AALDH1A1

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-2197873-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-06-23 EP disclosed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 WO disclosed