SCHEMBL3457601

SCHEMBL3457601

COCC(=O)N(C)[C]1CC(c2ccc(C#N)cc2C)=CCN1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 3/20 0.38
EGLN1 Q9GZT9 12/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
AVPR1A P37288 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
FASN P49327 1/20 0.34
KMT2A Q03164 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
SCHEMBL3457605 0.72 ADAM10 (0.39) OXTREGLN1CYP11B1CYP11B2AVPR1A
SCHEMBL3457000 0.72 EGLN1 (0.39) EGLN1FASN
SCHEMBL3457871 0.69 FASN (0.40) EGLN1HRH2HRH1FASNKMT2A
SCHEMBL3457329 0.66 KDM1A (0.40) EGLN1CYP11B1CYP11B2FASN
Hydrochloric Acid SCHEMBL2171943 0.64 HTR6 (0.59) CYP11B1CYP11B2KMT2A
SCHEMBL5321408 0.64 HTR6 (0.59) CYP11B1CYP11B2KMT2A
SCHEMBL3457210 0.64 CYP11B2 (0.37) EGLN1CYP11B1CYP11B2HRH2HRH1
SCHEMBL2154193 0.60 CYP11B2 (0.53) CYP11B1CYP11B2SLC22A12
SCHEMBL3121523 0.58 CYP11B2 (0.44) CYP11B1CYP11B2SLC22A12
SCHEMBL6359772 0.58 NAMPT (0.42) CYP11B1CYP11B2HRH2HRH1SLC22A12

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-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP disclosed