SCHEMBL14237484

SCHEMBL14237484

CC(C)(C)C1CC(Oc2cc(=O)n(-c3ccc(Cl)c(Cl)c3)nc2N)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.35
▸ RIPK2 O43353 1/20 0.34
▸ RPA1 P27694 3/20 0.33
▸ UGCG Q16739 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ CNR1 P21554 5/20 0.32
▸ CNR2 P34972 5/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31

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
SCHEMBL14237503 0.91 KCNH2 (0.36) KCNH2RPA1UGCGNOTUMCNR1
SCHEMBL14237570 0.90 SMN1; SMN2 (0.37) KCNH2RIPK2UGCGCNR1CNR2
SCHEMBL14237704 0.88 KCNH2 (0.36) KCNH2RIPK2RPA1UGCGNOTUM
SCHEMBL14237370 0.87 NPC1 (0.40) KCNH2RPA1UGCGNOTUMCNR1
SCHEMBL14237683 0.87 CNR1 (0.37) CNR1CNR2
SCHEMBL2544216 0.84 KCNH2 (0.38) KCNH2RPA1NOTUM
SCHEMBL2542457 0.80 NPBWR1 (0.51) NPBWR1MCHR1
SCHEMBL4718944 0.76 HRH1 (0.47) KCNH2
SCHEMBL2540908 0.75 KCNH2 (0.39) KCNH2RPA1NOTUMSIGMAR1
SCHEMBL14237689 0.74 GPR119 (0.37) —

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