SCHEMBL3654002

SCHEMBL3654002

CS(=O)(=O)N1CCN(c2cnc(OCC3CCNCC3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
EP300 Q09472 7/20 0.39
GPR119 Q8TDV5 6/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL15368987 0.84 TDO2 (0.40) GPR119KDM4ENPC1RAB9ALMNA
SCHEMBL1093760 0.84 GPR119 (0.48) GPR119
SCHEMBL3651096 0.83 GPR119 (0.39) CYP4F2CYP4A11GPR119KDM4ENPC1
SCHEMBL1093368 0.83 GPR119 (0.51) CYP4F2CYP4A11GPR119
SCHEMBL1093432 0.83 GPR119 (0.49) GPR119
SCHEMBL11956895 0.82 KDM1A (0.45) KDM1AEP300
SCHEMBL1092853 0.81 KDM4E (0.51) CYP4F2CYP4A11GPR119KDM4ENPC1
SCHEMBL1092996 0.80 GPR119 (0.47) GPR119
SCHEMBL1092772 0.80 GPR119 (0.64) GPR119
SCHEMBL1093429 0.79 GPR119 (0.52) GPR119KDM4ELMNA

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