SCHEMBL4735989

SCHEMBL4735989

Cc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)CN(C)Cc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.43
FASN P49327 12/20 0.42
UBE2M P61081 2/20 0.42
DCUN1D1 Q96GG9 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PROKR1 Q8TCW9 2/20 0.40
CNR1 P21554 1/20 0.38

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
SCHEMBL4731303 0.86 FASN (0.46) FASNPROKR1CNR1
SCHEMBL4734896 0.85 FASN (0.45) FASNPROKR1CNR1
SCHEMBL4734404 0.85 FASN (0.45) FASNPROKR1CNR1
SCHEMBL4786265 0.83 FASN (0.44) FASNPROKR1CNR1
SCHEMBL4731986 0.82 FASN (0.46) FASNPROKR1CNR1
SCHEMBL4734716 0.80 FASN (0.49) FASNPROKR1CNR1
SCHEMBL4736874 0.79 FASN (0.53) ALDH1A1KMT2AFASNPROKR1
SCHEMBL4732265 0.79 FASN (0.46) KMT2AFASNPROKR1CNR1
SCHEMBL4780610 0.79 FASN (0.45) FASNPROKR1
SCHEMBL4733770 0.78 FASN (0.51) ALDH1A1FASNPROKR1

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
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed