SCHEMBL6013116

SCHEMBL6013116

CCCc1nc(F)c(CO)c(-c2ccc(F)cc2)c1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.58
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL6013263 0.88 GCGR (0.48) GCGRLMNAADORA3SLC6A4SLC6A3
SCHEMBL6012775 0.84 GCGR (0.52) GCGRLMNAADORA3SLC6A4SLC6A3
SCHEMBL6012859 0.83 GCGR (0.50) GCGRLMNANPC1CASP3RAB9A
SCHEMBL5098380 0.80 GCGR (0.84) GCGRLMNASLC6A4SLC6A3NPC1
SCHEMBL9263291 0.77 GCGR (0.65) GCGRLMNASLC6A4SLC6A3NPC1
SCHEMBL6013145 0.76 GCGR (0.43) GCGRLMNAADORA3SLC6A4SLC6A3
SCHEMBL6013044 0.76 ACHE (0.48) GCGRLMNANPC1RAB9A
SCHEMBL6013125 0.76 GRM6 (0.46) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6012756 0.76 GCGR (0.43) GCGRLMNAADORA3SLC6A4SLC6A3
SCHEMBL6012892 0.74 GCGR (0.41) GCGRLMNAADORA3NPC1CASP3

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
EP-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 WO disclosed