SCHEMBL20053542

SCHEMBL20053542

CC(C)(CN1CCC(COc2ccc(-c3ccc(C(=O)N4CCCC4)cc3)cn2)CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
CYP2D6 P10635 1/20 0.42
SCN9A Q15858 6/20 0.41
GPR119 Q8TDV5 2/20 0.40
LIPE Q05469 1/20 0.40
ACHE P22303 2/20 0.40
HPGD P15428 1/20 0.40
GABRA5 P31644 2/20 0.40

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
SCHEMBL16777128 0.92 SCN9A (0.45) HRH3SCN9AACHEGABRA5
SCHEMBL15540422 0.92 SCN9A (0.45) HRH3SCN9AACHEGABRA5
SCHEMBL15539567 0.89 ACHE (0.44) GPR119LIPEACHE
SCHEMBL20053648 0.88 CYP2D6 (0.44) HRH3CYP2D6SCN9AGPR119LIPE
SCHEMBL15538438 0.87 CHRM4 (0.42) GPR119LIPEACHE
SCHEMBL15539035 0.86 SPHK2 (0.43) SCN9AACHE
SCHEMBL15539032 0.86 SPHK2 (0.43) SCN9AACHE
SCHEMBL15539314 0.84 SCN9A (0.46) HRH3SCN9AACHEGABRA5
SCHEMBL15539316 0.84 SCN9A (0.46) HRH3SCN9AACHEGABRA5
SCHEMBL15537945 0.83 HRH3 (0.42) HRH3CYP2D6SCN9AGPR119LIPE

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