SCHEMBL16531663

SCHEMBL16531663

CCn1nc(C)cc1OC(=O)Nc1ccc(OCCN)c(-c2ccnn2C)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 0.59
HTR2C P28335 18/20 0.55

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
SCHEMBL16531723 0.91 HTR2A (0.62) HTR2AHTR2C
SCHEMBL884288 0.86 HTR2A (0.65) HTR2AHTR2C
SCHEMBL16531606 0.84 HTR2A (0.58) HTR2AHTR2C
SCHEMBL16531890 0.82 HTR2A (0.63) HTR2AHTR2C
SCHEMBL16531410 0.82 HTR2A (0.59) HTR2AHTR2C
SCHEMBL16531459 0.82 HTR2A (0.66) HTR2AHTR2C
SCHEMBL16531213 0.82 HTR2A (0.61) HTR2AHTR2C
SCHEMBL884319 0.82 HTR2A (0.61) HTR2AHTR2C
SCHEMBL16531688 0.81 HTR2A (0.64) HTR2AHTR2C
SCHEMBL16531526 0.81 HTR2A (0.61) 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