SCHEMBL4780901

SCHEMBL4780901

CCc1ccc(C(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1NC(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
PROKR1 Q8TCW9 2/20 0.44
CNR1 P21554 1/20 0.43
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FASN P49327 8/20 0.42
CHRM2 P08172 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MGLL Q99685 1/20 0.42
P2RY14 Q15391 1/20 0.42
LMNA P02545 1/20 0.41
TEAD1 P28347 1/20 0.41

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
SCHEMBL4734716 0.90 FASN (0.49) EGLN1PROKR1CNR1FASN
SCHEMBL4733290 0.78 FASN (0.53) EGLN1PROKR1FASN
SCHEMBL4733770 0.78 FASN (0.51) EGLN1PROKR1FASN
SCHEMBL4734404 0.77 FASN (0.45) EGLN1PROKR1CNR1FASN
SCHEMBL4734986 0.76 FASN (0.46) EGLN1PROKR1FASN
SCHEMBL4174590 0.76 FASN (0.56) EGLN1PROKR1CNR1GAATDP1
SCHEMBL4731303 0.76 FASN (0.46) EGLN1PROKR1CNR1FASN
SCHEMBL4736930 0.76 POLB (0.52) TDP1FASNLMNA
SCHEMBL4731986 0.76 FASN (0.46) EGLN1PROKR1CNR1FASN
SCHEMBL4732265 0.76 FASN (0.46) PROKR1CNR1FASN

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