SCHEMBL20077088

SCHEMBL20077088

CNC(=O)c1ccc(NCCCCC2CCN(C(=O)[C@H](c3cc(Cl)cc(Cl)c3)C(F)(F)F)CC2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.39
▸ KLRK1 P26718 1/20 0.36
▸ MICA Q29983 1/20 0.36
▸ AVPR2 P30518 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34

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
SCHEMBL20077327 0.92 ITGB3 (0.40) GPR119KLRK1MICAAVPR2ITGB3
SCHEMBL20077051 0.88 GPR119 (0.38) GPR119
SCHEMBL22894953 0.83 NR1H2 (0.42) GPR119AVPR2
SCHEMBL22894955 0.83 NR1H2 (0.42) GPR119AVPR2
SCHEMBL22894982 0.83 GPR119 (0.43) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL20077650 0.82 ITGB3 (0.39) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL20077312 0.79 GPR119 (0.60) GPR119
SCHEMBL22894988 0.79 NR1H2 (0.44) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL20077328 0.79 NR1H2 (0.44) GPR119AVPR2ITGB3ITGA2BACP1
SCHEMBL22894951 0.78 NR1H2 (0.51) GPR119AVPR2ITGB3ITGA2BACP1

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
WO-2018068296-A1 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO disclosed
WO-2018071315-A2 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO disclosed
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