SCHEMBL9744007

SCHEMBL9744007

CC(C)c1cc(-c2ccc(F)cc2)c(C(O)O)c(N(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
GCGR P47871 7/20 0.35
PGR P06401 1/20 0.33
HMGCR P04035 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL8949830 0.81 GCGR (0.45) GCGR
SCHEMBL8949790 0.81 GCGR (0.40) GCGR
SCHEMBL8880943 0.69 GCGR (0.45) SCN9AGCGR
SCHEMBL8949704 0.69 NPC1 (0.43) GCGRHMGCR
SCHEMBL28320987 0.69 GCGR (0.51) GCGR
SCHEMBL2663566 0.69 GCGR (0.58) GCGR
SCHEMBL27506734 0.68 GCGR (0.41) GCGR
SCHEMBL9870937 0.67 GCGR (0.60) SCN9AGCGRFPR2
SCHEMBL8949766 0.66 GCGR (0.40) GCGR
SCHEMBL8876861 0.65 GCGR (0.46) GCGRHMGCR

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-5145857-A HMG-COA REDUCTASE-INHIBITING SUBSTITUTED AMINO-PYRIDINES BAYER AKTIENGESELLSCHAFT (DE) 1992-09-08 US disclosed