SCHEMBL6971350

SCHEMBL6971350

CC(=O)N(Cc1cccc(C#N)c1)c1c(C)n[nH]c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.44
MEP1B Q16820 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
PDK1 Q15118 1/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CA P42336 3/20 0.39
NR3C1 P04150 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
VNN1 O95497 2/20 0.38
TSPO P30536 1/20 0.37
PIN1 Q13526 1/20 0.37
IDH1 O75874 1/20 0.37
MAPK8 P45983 1/20 0.36
GRK6 P43250 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL6966470 0.91 MEP1A (0.44) MEP1AMEP1BTRPM8PDK1PIK3R1
SCHEMBL6966662 0.75 NPSR1 (0.44) MEP1AMEP1BPDK1NR3C1TSPO
SCHEMBL6972391 0.74 MEP1A (0.39) MEP1AMEP1BPDK1SLC6A2SLC6A4
SCHEMBL6967001 0.72 BCL2A1 (0.42) MEP1AMEP1BPTGDR2PDK1PIK3R1
SCHEMBL6964182 0.72 MEP1A (0.38) MEP1AMEP1BPDK1IDH1CHRM2
SCHEMBL6971363 0.71 AR (0.39) MEP1AMEP1BPTGDR2PDK1PIK3R1
SCHEMBL6971033 0.71 NR3C1 (0.42) MEP1AMEP1BPTGDR2PDK1NR3C1
SCHEMBL6970219 0.70 MEP1A (0.41) MEP1AMEP1BPDK1NR3C1SLC6A2
SCHEMBL6973143 0.69 MAPK1 (0.42) MEP1AMEP1BNR3C1VNN1TSPO
SCHEMBL6966010 0.68 MEP1A (0.39) MEP1AMEP1BPTGDR2PDK1NR3C1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed