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SCHEMBL4784366

SCHEMBL4784366

CCc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)nc1.Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1NC(=O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ PRSS12 P56730 3/20 0.44
▸ HDAC4 P56524 1/20 0.42
▸ SFRP1 Q8N474 1/20 0.42

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
SCHEMBL4731259 0.91 SMN1; SMN2 (0.54) FASNSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL4732787 0.90 MEN1 (0.56) FASNSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL4737601 0.89 FASN (0.59) FASNSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL14209232 0.83 MEN1 (0.54) SMN1; SMN2MEN1KMT2ALMNAPRSS12
SCHEMBL4731416 0.79 FASN (0.61) FASNSFRP1
SCHEMBL4737156 0.77 FASN (0.72) FASNMEN1KMT2APRSS12
SCHEMBL4783639 0.76 FASN (0.60) FASN
SCHEMBL4732268 0.75 FASN (0.59) FASNSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL4733280 0.75 FASN (0.69) FASNALDH1A1
SCHEMBL4731899 0.74 SMN1; SMN2 (0.47) FASNSMN1; SMN2ALDH1A1HTTMEN1

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 claimed