SCHEMBL22755306

SCHEMBL22755306

Cc1c[nH]c(=O)c2c(C(=O)N3CCC(c4ccc(Cl)cc4)C3)cn(C)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 6/20 0.52
FASN P49327 1/20 0.44
MGLL Q99685 8/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MYC P01106 1/20 0.40
EIF4A3 P38919 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
AVPR1A P37288 1/20 0.39

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
SCHEMBL22729758 0.85 PROKR1 (0.53) PROKR1FASNMGLLCCNCCDK8
SCHEMBL22755307 0.83 FASN (0.48) PROKR1FASNMGLLCCNCCDK8
SCHEMBL22729440 0.79 PROKR1 (0.44) PROKR1FASNMGLLAVPR1A
SCHEMBL22755134 0.77 AVPR1A (0.49) PROKR1FASNMGLLEIF4A3AVPR1A
SCHEMBL22754995 0.75 ALDH1A1 (0.41) LMNATP53
SCHEMBL22729425 0.75 TP53 (0.47) MGLLLMNATP53
SCHEMBL22755044 0.75 SCD (0.44) MGLL
SCHEMBL22755323 0.74 SPR (0.38) PROKR1TP53
SCHEMBL22755079 0.74 SPR (0.46) LMNA
SCHEMBL22754900 0.73 ALDH1A1 (0.42)

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-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP disclosed