SCHEMBL4735643

SCHEMBL4735643

COc1ccc(CC2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)nc4)c3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 14/20 0.58
CSF1R P07333 1/20 0.47
DAPK1 P53355 1/20 0.47
KCNH2 Q12809 1/20 0.47
PRSS12 P56730 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PRKAB2 O43741 1/20 0.46
CYP3A4 P08684 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK14 Q16539 1/20 0.44

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
SCHEMBL4732268 0.91 FASN (0.59) FASNALDH1A1MAPT
SCHEMBL4734907 0.88 FASN (0.71) FASN
SCHEMBL4737274 0.86 FASN (0.72) FASN
SCHEMBL4733943 0.81 FASN (0.80) FASN
SCHEMBL4734962 0.81 FASN (0.83) FASN
SCHEMBL4732163 0.80 FASN (0.79) FASN
SCHEMBL4734984 0.80 FASN (0.73) FASNALDH1A1
SCHEMBL4734162 0.80 FASN (0.59) FASNCSF1RDAPK1KCNH2
SCHEMBL4732870 0.80 FASN (0.72) FASN
SCHEMBL4732518 0.79 FASN (0.71) FASN

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