SCHEMBL12201476

SCHEMBL12201476

CC(CC1CCCO1)C(=O)Nc1ccc(F)cn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.56
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HCAR3 P49019 1/20 0.46
▸ FFAR2 O15552 1/20 0.46
▸ CXCR2 P25025 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL4103735 0.87 GRM5 (0.52) GRM5NPC1RAB9AHCAR3FFAR2
SCHEMBL12201477 0.87 GRM5 (0.52) GRM5NPC1RAB9AHCAR3FFAR2
SCHEMBL2668326 0.86 GRM5 (0.54) GRM5NPC1RAB9AHCAR3FFAR2
SCHEMBL4114224 0.82 GRM5 (0.50) GRM5NPC1RAB9AHCAR3FFAR2
SCHEMBL4109054 0.81 GRM5 (0.49) GRM5NPC1RAB9AHCAR3CXCR2
SCHEMBL2520163 0.81 GRM5 (0.49) GRM5NPC1RAB9AHCAR3CXCR2
SCHEMBL2513021 0.79 GRM5 (0.46) GRM5FFAR2POLBMAPK1
SCHEMBL4103721 0.77 GRM5 (0.47) GRM5NPC1RAB9AHCAR3CXCR2
SCHEMBL4114293 0.77 GRM5 (0.46) GRM5NPC1RAB9AHCAR3CXCR2
SCHEMBL2657224 0.74 GCK (0.65) GRM5

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-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 — — US disclosed
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