SCHEMBL14019167

SCHEMBL14019167

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.40
MEP1B Q16820 1/20 0.40
GLA P06280 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
PDK1 Q15118 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
LMNA P02545 1/20 0.34
IDH1 O75874 1/20 0.34
FOLH1 Q04609 1/20 0.34
DPP4 P27487 1/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 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
SCHEMBL7053974 0.75 MEP1A (0.39) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL7053242 0.72 SLC6A2 (0.36) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL7053432 0.72 MEP1A (0.37) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL6972391 0.70 MEP1A (0.39) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL7056941 0.70 MEP1A (0.37) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL7052131 0.69 CNR1 (0.38) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL6966662 0.67 NPSR1 (0.44) MEP1AMEP1BPDK1ALDH1A1LMNA
SCHEMBL6971033 0.67 NR3C1 (0.42) MEP1AMEP1BPDK1ALDH1A1PTGDR2
SCHEMBL6971350 0.67 MEP1A (0.44) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL6966037 0.66 ALKBH1 (0.43) MEP1AMEP1BPDK1ALDH1A1CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed