SCHEMBL6731178

SCHEMBL6731178

CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)c2cccc(CC(F)(F)F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ FASN P49327 1/20 0.38
▸ HTR2A P28223 10/20 0.38
▸ WDR5 P61964 1/20 0.36
▸ CDK8 P49336 1/20 0.35
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL3693932 0.87 GHSR (0.42) OPRM1FASNHTR2A
SCHEMBL3696842 0.86 BRAF (0.41) FASNHTR2AWDR5
SCHEMBL3698083 0.86 HTR2A (0.42) FASNHTR2AWDR5
SCHEMBL3703934 0.85 HTR2A (0.47) HTR2A
SCHEMBL3701259 0.84 FASN (0.42) FASNHTR2A
SCHEMBL3700861 0.84 FASN (0.42) FASNHTR2A
SCHEMBL3693110 0.83 DYRK1A (0.44) FASNHTR2A
SCHEMBL3692104 0.83 TP53 (0.45) FASNHTR2A
SCHEMBL3697727 0.83 HTR2A (0.43) FASNHTR2A
SCHEMBL6730692 0.82 FASN (0.42) FASNHTR2A

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-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 — — EP disclosed
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