SCHEMBL20053575

SCHEMBL20053575

O=C(c1ccc(-c2ccc(OCC3CCN(CC4(C(F)(F)F)CCC4)CC3)nc2)cc1)N1CC[C@@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.43
HDAC4 P56524 1/20 0.42
SCN9A Q15858 7/20 0.42
HRH3 Q9Y5N1 3/20 0.41
GPR119 Q8TDV5 2/20 0.39
ACHE P22303 2/20 0.39
LIPE Q05469 1/20 0.37
PDK2 Q15119 1/20 0.36

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
SCHEMBL15550846 1.00 GABRA5 (0.43) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15550849 1.00 GABRA5 (0.43) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15538871 0.98 GABRA5 (0.43) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15539758 0.98 GABRA5 (0.43) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15560721 0.98 GABRA5 (0.42) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15538443 0.98 GABRA5 (0.42) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15539240 0.97 GABRA5 (0.44) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL16777042 0.97 GABRA5 (0.44) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15537646 0.96 SCN9A (0.45) GABRA5HDAC4SCN9AHRH3GPR119
SCHEMBL15538379 0.96 SCN9A (0.45) GABRA5HDAC4SCN9AHRH3GPR119

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
US-9944600-B2 Piperidine derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-04-17 US disclosed