SCHEMBL7053432

SCHEMBL7053432

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PTGES O14684 5/20 0.36
MAOB P27338 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
GLA P06280 1/20 0.35
CCR5 P51681 1/20 0.34
PDK1 Q15118 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
MLYCD O95822 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
AKR1C3 P42330 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
SCHEMBL7056941 0.90 MEP1A (0.37) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7053974 0.81 MEP1A (0.39) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7053242 0.76 SLC6A2 (0.36) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7052131 0.76 CNR1 (0.38) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL14019167 0.72 MEP1A (0.40) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL6960685 0.68 MEP1A (0.38) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL7052650 0.68 MGLL (0.37) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL6970716 0.67 F11 (0.39) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL6967559 0.66 PDK1 (0.39) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL12505597 0.65 MEP1A (0.56) 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