SCHEMBL6012859

SCHEMBL6012859

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.50
LMNA P02545 1/20 0.40
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PRKCZ Q05513 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 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
SCHEMBL5101684 0.84 GCGR (0.70) GCGRLMNA
SCHEMBL6013116 0.83 GCGR (0.58) GCGRLMNADPP4DPP8DPP9
SCHEMBL6013125 0.82 GRM6 (0.46) GCGRLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6012756 0.80 GCGR (0.43) GCGRLMNANPC1RAB9ACASP3
SCHEMBL6013263 0.78 GCGR (0.48) GCGRLMNADPP4NPC1RAB9A
SCHEMBL6012892 0.78 GCGR (0.41) GCGRLMNADPP4NPC1RAB9A
SCHEMBL6012775 0.77 GCGR (0.52) GCGRLMNADPP4NPC1RAB9A
SCHEMBL9221722 0.73 GCGR (0.85) GCGRLMNA
SCHEMBL6012832 0.73 SMN1; SMN2 (0.46) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9263291 0.72 GCGR (0.65) GCGRLMNANPC1RAB9ACASP3

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