SCHEMBL20780530

SCHEMBL20780530

C=C(OCc1ccc(OC(C)C)cc1)N(Cc1ccc(Cl)cc1C)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 19/20 0.56
▸ MBTPS1 Q14703 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
SCHEMBL20780533 0.90 HTR2A (0.57) HTR2A
SCHEMBL20780726 0.89 HTR2A (0.68) HTR2A
SCHEMBL20780725 0.88 HTR2A (0.60) HTR2AMBTPS1
SCHEMBL20778704 0.85 HTR2A (0.47) HTR2AMBTPS1
SCHEMBL20780518 0.80 HTR2A (0.62) HTR2A
SCHEMBL20780645 0.79 HTR2A (0.54) HTR2A
SCHEMBL20780647 0.77 HTR2A (0.69) HTR2A
SCHEMBL20780620 0.77 HTR2A (0.70) HTR2A
SCHEMBL20780560 0.76 HTR2A (0.54) HTR2A
SCHEMBL20780514 0.76 HTR2A (0.52) HTR2A

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-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 — — WO disclosed
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