SCHEMBL14237358

SCHEMBL14237358

CC(C)(C)C1CC(Oc2cc(=O)n(-c3ccc(S(C)(=O)=O)cc3)nc2C#N)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 16/20 0.39
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL14237588 0.88 MAPT (0.35) NPC1ALDH1A1MAPTOPRK1HTT
SCHEMBL14237616 0.87 GPR119 (0.39) GPR119
SCHEMBL1550611 0.86 GPR119 (0.45) GPR119TBK1
SCHEMBL14237370 0.86 NPC1 (0.40) NPC1ALDH1A1MAPTOPRK1HTT
SCHEMBL14237555 0.85 CHEK1 (0.34) GPR119NPC1ALDH1A1MAPTOPRK1
SCHEMBL14237689 0.85 GPR119 (0.37) GPR119NPC1ALDH1A1MAPTOPRK1
SCHEMBL14237635 0.84 NPC1 (0.33) NPC1ALDH1A1MAPTOPRK1HTT
SCHEMBL14237551 0.82 GPR119 (0.46) GPR119
SCHEMBL2536207 0.81 GPR119 (0.59) GPR119
SCHEMBL14237714 0.79 GPR6 (0.36) —

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-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP claimed
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