SCHEMBL20053598

SCHEMBL20053598

CC(C)(F)CN1CCC(COc2ccc(-c3cnc(C(=O)N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CYP4F2 P78329 4/20 0.38
CYP4A11 Q02928 4/20 0.38

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
SCHEMBL15538454 0.89 GPR119 (0.42) GPR119CYP4F2CYP4A11
SCHEMBL20053606 0.88 HRH3 (0.42) GPR119STAT3HRH3
SCHEMBL15538636 0.87 GPR119 (0.43) GPR119CYP4F2CYP4A11
SCHEMBL20053597 0.87 GPR119 (0.40) GPR119CYP4F2CYP4A11
SCHEMBL20053595 0.86 GPR119 (0.53) GPR119STAT3ALDH1A1HPGDHRH3
SCHEMBL15538269 0.86 SCN9A (0.46) GPR119
SCHEMBL15538263 0.86 SCN9A (0.46) GPR119
SCHEMBL20053619 0.85 GPR119 (0.60) GPR119HPGDKDM4EHRH3CYP4F2
SCHEMBL21534646 0.85 GPR119 (0.59) GPR119HPGDHRH3CYP4F2CYP4A11
SCHEMBL15537715 0.84 HRH3 (0.56) GPR119ALDH1A1HPGDHSD17B10KDM4E

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-2858986-B1 PIPERIDINE DERIVATIVES AS GPR119 AGONISTS CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2019-10-30 EP disclosed
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed