SCHEMBL27734646

SCHEMBL27734646

NC(=O)[C@@H](N)CCCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
DPP4 P27487 1/20 0.42
MC4R P32245 1/20 0.41
MC3R P41968 1/20 0.41
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.41
NR3C2 P08235 1/20 0.39
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR1 P21453 1/20 0.39
NLN Q9BYT8 1/20 0.39

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
SCHEMBL18522449 1.00 GRIK1 (0.43) GRIK1TAAR1DPP4MC4RMC3R
SCHEMBL20438857 0.86 GRIK1 (0.54) GRIK1LMNA
SCHEMBL1586370 0.84 SLC7A5 (0.49) GRIK1TAAR1LMNA
SCHEMBL27734517 0.84 GRIK1 (0.44) GRIK1S1PR1
SCHEMBL1586369 0.84 SLC7A5 (0.49) GRIK1TAAR1LMNA
SCHEMBL27734516 0.84 GRIK1 (0.44) GRIK1S1PR1
SCHEMBL27734651 0.83 PPARG (0.51) GRIK1TAAR1DPP4
SCHEMBL27734653 0.83 PPARG (0.51) GRIK1TAAR1DPP4
SCHEMBL29032086 0.82 GRIK1 (0.61) GRIK1LMNANPC1RAB9AS1PR1
SCHEMBL27754701 0.82 GRIK1 (0.61) GRIK1LMNANPC1RAB9AS1PR1

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
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN disclosed