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SCHEMBL470485

SCHEMBL470485

CC(C)(C)OC(=O)N[C@H]1CN(c2ncc(OCC3CCN(c4ncc(Cl)cn4)CC3)cn2)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ MCHR1 Q99705 1/20 0.40
▸ NTRK1 P04629 3/20 0.39
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ RET P07949 4/20 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
SCHEMBL462062 0.91 GPR119 (0.42) GPR119KCNH2NTRK1EIF2AK4RET
SCHEMBL463105 0.91 GPR119 (0.42) GPR119KCNH2NTRK1EIF2AK4RET
SCHEMBL462063 0.91 GPR119 (0.42) GPR119KCNH2NTRK1EIF2AK4RET
SCHEMBL12064703 0.90 MCHR1 (0.37) GPR119KCNH2MCHR1NTRK1RET
SCHEMBL470590 0.90 NTRK1 (0.38) GPR119KCNH2MCHR1NTRK1RET
SCHEMBL459423 0.88 GPR119 (0.41) GPR119MCHR1NTRK1RET
SCHEMBL12064977 0.88 GPR119 (0.38) GPR119KCNH2MCHR1NTRK1EIF2AK4
SCHEMBL470640 0.88 MCHR1 (0.36) GPR119KCNH2MCHR1NTRK1EIF2AK4
SCHEMBL148181 0.88 NTRK1 (0.38) GPR119KCNH2NTRK1EIF2AK4RET
SCHEMBL148182 0.88 NTRK1 (0.38) GPR119KCNH2NTRK1EIF2AK4RET

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
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 — — WO disclosed