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SCHEMBL470743

SCHEMBL470743

COCC(Oc1cnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](c3cc(F)ccc3F)C2)nc1)C1CCN(c2nc(C(C)C)no2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ GPR183 P32249 1/20 0.34
▸ NTRK1 P04629 3/20 0.33
▸ RET P07949 4/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NR1H2 P55055 1/20 0.32

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
SCHEMBL149962 0.90 GPR119 (0.38) GPR119KCNH2GPR183NTRK1RET
SCHEMBL149964 0.90 GPR119 (0.38) GPR119KCNH2GPR183NTRK1RET
SCHEMBL149963 0.90 GPR119 (0.38) GPR119KCNH2GPR183NTRK1RET
SCHEMBL470479 0.88 GPR119 (0.36) GPR119KCNH2NTRK1CYP3A4CYP2C19
SCHEMBL12064983 0.87 GPR119 (0.36) GPR119KCNH2GPR183CYP3A4CYP2C19
SCHEMBL149552 0.87 GPR119 (0.38) GPR119KCNH2GPR183NTRK1RET
SCHEMBL121467 0.87 GPR119 (0.38) GPR119KCNH2GPR183NTRK1RET
SCHEMBL12064539 0.86 GPR119 (0.35) GPR119KCNH2GPR183
SCHEMBL149137 0.85 GPR119 (0.38) GPR119KCNH2GPR183RETCYP3A4
SCHEMBL149138 0.85 GPR119 (0.38) GPR119KCNH2GPR183RETCYP3A4

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