SCHEMBL7053974

SCHEMBL7053974

CC(C)Cc1cc(N(Cc2cccc(C#N)c2)C(=O)Cl)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
PDK1 Q15118 1/20 0.38
GLA P06280 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
FOLH1 Q04609 1/20 0.35
CCR5 P51681 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
PRCP P42785 1/20 0.34
CREBBP Q92793 1/20 0.34
GRIA2 P42262 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
SCHEMBL7053242 0.85 SLC6A2 (0.36) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7052131 0.83 CNR1 (0.38) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7053432 0.81 MEP1A (0.37) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7056941 0.79 MEP1A (0.37) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL14019167 0.75 MEP1A (0.40) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7050677 0.73 VNN1 (0.41) GLAALDH1A1MAPTGRIA2GRIN1
SCHEMBL7052650 0.71 MGLL (0.37) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL19049392 0.67 SLC6A2 (0.53) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL2660512 0.67 GLA (0.58) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL6964408 0.65 ALDH1A1 (0.43) MEP1AMEP1BSLC6A2SLC6A4SLC6A3

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