SCHEMBL3695386

SCHEMBL3695386

CN1CCC(N(Cc2cc(-c3ccc4[nH]ccc4c3)ccc2F)C(=O)Oc2ccncn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 18/20 0.40
▸ PIK3CD O00329 1/20 0.37
▸ FASN P49327 1/20 0.37

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
SCHEMBL3694290 0.90 HTR2A (0.40) HTR2APIK3CDFASN
SCHEMBL3703964 0.89 HTR2A (0.40) HTR2AFASN
SCHEMBL3705901 0.87 HTR2A (0.41) HTR2AFASN
SCHEMBL6729935 0.87 FASN (0.40) HTR2APIK3CDFASN
SCHEMBL3704020 0.86 HTR2A (0.40) HTR2APIK3CDFASN
SCHEMBL3701044 0.84 HTR2A (0.42) HTR2AFASN
SCHEMBL3692104 0.83 TP53 (0.45) HTR2AFASN
SCHEMBL6730692 0.82 FASN (0.42) HTR2APIK3CDFASN
SCHEMBL3698160 0.81 HTR2A (0.41) HTR2AFASN
SCHEMBL13604952 0.80 NPSR1 (0.43) HTR2APIK3CDFASN

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 claimed
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