SCHEMBL23710149

SCHEMBL23710149

CNCCCC1CCN(C(C)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 6/20 0.40
EPHX1 P07099 2/20 0.40
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
OPRL1 P41146 2/20 0.38
GPR119 Q8TDV5 2/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 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
SCHEMBL21345494 0.89 CHRM2 (0.43) EPHX2EPHX1JAK1JAK3OPRL1
SCHEMBL24171104 0.83 EPHX2 (0.41) MEN1KMT2AEPHX2EPHX1OPRL1
SCHEMBL23710176 0.82 FAAH (0.49) SIGMAR1MEN1KMT2AEPHX2GPR119
SCHEMBL3956739 0.82 MEN1 (0.42) MEN1KMT2AEPHX2EPHX1OPRL1
SCHEMBL3956738 0.82 MEN1 (0.39) SIGMAR1MEN1KMT2AEPHX2EPHX1
SCHEMBL12561511 0.80 POLB (0.51) MEN1KMT2AEPHX2EPHX1ITGB3
SCHEMBL7299175 0.80 AKR1C3 (0.45) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL6705700 0.80 GPR119 (0.54) GPR119
SCHEMBL7226796 0.79 EPHX2 (0.40) EPHX2EPHX1ITGB3ITGA2BGNAI3
SCHEMBL26263461 0.79 GNAI3 (0.53) SIGMAR1EPHX2EPHX1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858832-A1 TRIFLUOROMETHYL-SUBSTITUTED SULFONAMIDE AS BCL-2-SELECTIVE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-08-04 EP disclosed