SCHEMBL7056941

SCHEMBL7056941

COC(=O)N(Cc1cccc(C#N)c1)c1cc(CC(C)C(F)(F)F)nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOB P27338 1/20 0.35
CETP P11597 1/20 0.35
CCR5 P51681 3/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GLS O94925 1/20 0.34
PTGES O14684 3/20 0.33
VNN1 O95497 1/20 0.33
GLA P06280 1/20 0.33
HTRA1 Q92743 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL7053432 0.90 MEP1A (0.37) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL7053974 0.79 MEP1A (0.39) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL7052131 0.78 CNR1 (0.38) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL7053242 0.76 SLC6A2 (0.36) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL14019167 0.70 MEP1A (0.40) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL7052650 0.70 MGLL (0.37) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL6957643 0.67 MEP1A (0.42) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL6964459 0.66 IDH1 (0.37) MEP1AMEP1BCHRM2CHRM1CHRM3
SCHEMBL7050677 0.65 VNN1 (0.41) GRIA2GRIN1GRIN2AGLSVNN1
SCHEMBL6971432 0.64 MEP1A (0.40) MEP1AMEP1BCHRM2CHRM1CHRM3

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