SCHEMBL16531701

SCHEMBL16531701

Cn1nccc1-c1cc(NC(=O)ON2CCC3CCCC=C3C2)ccc1OCCN

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 20/20 0.53
▸ HTR2C P28335 16/20 0.50
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL16531756 0.86 HTR2A (0.51) HTR2AHTR2C
SCHEMBL16531717 0.80 HTR2A (0.61) HTR2AHTR2CKCNH2
SCHEMBL16531744 0.80 HTR2A (0.57) HTR2AHTR2CKCNH2
SCHEMBL884276 0.76 HTR2A (0.65) HTR2AHTR2C
Cyclopentane SCHEMBL16531358 0.76 HTR2A (0.69) HTR2AHTR2C
SCHEMBL2064282 0.75 HTR2A (0.52) HTR2AHTR2C
SCHEMBL16531103 0.74 HTR2A (0.60) HTR2AHTR2C
SCHEMBL16531047 0.74 HTR2A (0.55) HTR2AHTR2C
SCHEMBL2064559 0.74 HTR2A (0.59) HTR2AHTR2C
SCHEMBL16531783 0.73 HTR2A (0.57) HTR2AHTR2C

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-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 — — EP claimed
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