SCHEMBL7645002

SCHEMBL7645002

CCN(CC)CCc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 1.00
HTR2C P28335 10/20 1.00
DRD2 P14416 7/20 0.76
HTR6 P50406 1/20 0.54
CNR1 P21554 1/20 0.54

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
SCHEMBL7646413 0.84 HTR2A (1.00) HTR2AHTR2CDRD2HTR6CNR1
SCHEMBL27732955 0.82 HTR2A (0.69) HTR2AHTR2CDRD2CNR1
SCHEMBL20970934 0.81 HTR6 (0.71) HTR2AHTR2CDRD2HTR6
SCHEMBL29536604 0.81 HTR6 (0.71) HTR2AHTR2CDRD2HTR6
SCHEMBL30288465 0.80 HTR2A (0.67) HTR2AHTR2CDRD2HTR6
SCHEMBL30288461 0.80 HTR2A (0.67) HTR2AHTR2CDRD2HTR6
SCHEMBL28286983 0.80 HTR2A (0.66) HTR2AHTR2CDRD2CNR1
SCHEMBL10933049 0.79 HTR2A (0.69) HTR2AHTR2CDRD2CNR1
SCHEMBL12877452 0.79 HTR2A (0.64) HTR2AHTR2CDRD2CNR1
SCHEMBL11817240 0.77 HTR2A (0.62) HTR2AHTR2CDRD2CNR1

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
US-6486153-B1 Phenylindole derivatives as 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. 2002-11-26 US disclosed