SCHEMBL7052650

SCHEMBL7052650

COCC(=O)N(Cc1cccc(C#N)c1)c1cc(CC2CCC2)nn1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
ITK Q08881 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ACSL1 P33121 1/20 0.35
MEP1A Q16819 1/20 0.35
MEP1B Q16820 1/20 0.35
CCR3 P51677 4/20 0.35
PDK1 Q15118 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
HTR2A P28223 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34

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
SCHEMBL7053242 0.76 SLC6A2 (0.36) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL7053974 0.71 MEP1A (0.39) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL7056941 0.70 MEP1A (0.37) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL7053432 0.68 MEP1A (0.37) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL7052131 0.67 CNR1 (0.38) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL6959626 0.66 OPRM1 (0.41) CHRM2CHRM1CHRM3KMT2ASLC6A2
SCHEMBL14019167 0.66 MEP1A (0.40) CHRM2CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL28254019 0.63 KMT2A (0.50) MGLLKMT2ATSHRSLC6A2SLC6A4
SCHEMBL14108693 0.63 DGAT2 (0.39) MGLLCHRM2CHRM1CHRM3KMT2A
SCHEMBL14109251 0.63 MGLL (0.39) MGLLCHRM2CHRM1CHRM3KMT2A

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed