SCHEMBL954663

SCHEMBL954663

NC(=O)CCCCc1cc(-c2nnn[nH]2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MPO P05164 6/20 0.40
SPHK2 Q9NRA0 1/20 0.36
SLC6A4 P31645 1/20 0.36
TLR8 Q9NR97 1/20 0.32
GRK6 P43250 1/20 0.32
ICMT O60725 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
IDO1 P14902 1/20 0.30
SGK1 O00141 1/20 0.30

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
SCHEMBL952671 0.85 ICMT (0.40) GRK6ICMTIDO1
SCHEMBL956333 0.78 PLA2G10 (0.37) MPOSPHK2
SCHEMBL949482 0.77 MPO (0.36) MPOSLC6A4
SCHEMBL1577056 0.72 DGAT1 (0.45) GRK6IDO1
SCHEMBL950000 0.72 FFAR1 (0.39)
SCHEMBL953932 0.71 CAPN1 (0.34) MPOSLC6A4
SCHEMBL10145320 0.70 HSD17B10 (0.53)
SCHEMBL23667636 0.69 BTK (0.36) GRK6
SCHEMBL19457204 0.69 TNIK (0.33) GRK6
SCHEMBL17672898 0.69 HCAR2 (0.31)

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
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed