SCHEMBL6966470

SCHEMBL6966470

Cc1n[nH]c(C)c1N(Cc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.44
MEP1B Q16820 1/20 0.44
NR3C1 P04150 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
VNN1 O95497 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK1 Q15118 1/20 0.39
PIN1 Q13526 1/20 0.39
PIK3R1 P27986 3/20 0.39
PIK3CA P42336 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37

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
SCHEMBL6971350 0.91 MEP1A (0.44) MEP1AMEP1BNR3C1TRPM8SLC6A2
SCHEMBL6970219 0.76 MEP1A (0.41) MEP1AMEP1BNR3C1SLC6A2SLC6A4
SCHEMBL6966005 0.74 MEP1A (0.39) MEP1AMEP1BNR3C1SLC6A2SLC6A4
SCHEMBL6966010 0.74 MEP1A (0.39) MEP1AMEP1BNR3C1SLC6A2SLC6A4
SCHEMBL6968946 0.74 MEP1A (0.39) MEP1AMEP1BNR3C1SLC6A2SLC6A4
SCHEMBL6970716 0.74 F11 (0.39) MEP1AMEP1BNR3C1SLC6A2SLC6A4
SCHEMBL6960685 0.73 MEP1A (0.38) MEP1AMEP1BNR3C1SLC6A2SLC6A4
SCHEMBL6967559 0.73 PDK1 (0.39) MEP1AMEP1BNR3C1SLC6A2SLC6A4
SCHEMBL6965184 0.72 MAPT (0.40) MEP1AMEP1BMEN1NPC1KMT2A
SCHEMBL12505597 0.72 MEP1A (0.56) MEP1AMEP1BNR3C1SLC6A2SLC6A4

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