SCHEMBL7960168

SCHEMBL7960168

Fc1ccccc1CCN1CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.73
HTR2C P28335 10/20 0.73
KCNH2 Q12809 9/20 0.73
DRD2 P14416 6/20 0.73

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
SCHEMBL7948536 0.89 HTR2A (0.68) HTR2AHTR2CKCNH2DRD2
SCHEMBL7962348 0.88 HTR2A (0.75) HTR2AHTR2CKCNH2DRD2
SCHEMBL7958107 0.87 HTR2A (0.73) HTR2AHTR2CKCNH2DRD2
SCHEMBL7962644 0.87 HTR2A (0.73) HTR2AHTR2CKCNH2DRD2
SCHEMBL7957924 0.87 HTR2A (0.73) HTR2AHTR2CKCNH2DRD2
SCHEMBL7958250 0.86 HTR2A (0.67) HTR2AHTR2CKCNH2DRD2
SCHEMBL7957752 0.86 HTR2A (0.63) HTR2AHTR2CKCNH2DRD2
SCHEMBL7948313 0.85 HTR2A (1.00) HTR2AHTR2CKCNH2DRD2
SCHEMBL7948393 0.84 HTR2A (0.85) HTR2AHTR2CKCNH2DRD2
SCHEMBL7955986 0.84 HTR2A (0.67) HTR2AHTR2CKCNH2DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316468-B1 Phenylindole derivatives as 5-HT2A receptor antagonists MERCK SHARP & DOHME LTD. 2001-11-13 US claimed
WO-1999011641-A1 PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1999-03-11 WO claimed
US-6316468-B1 Phenylindole derivatives as 5-HT2A receptor antagonists MERCK SHARP & DOHME LTD. 2001-11-13 US disclosed
WO-1999011641-A1 PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1999-03-11 WO disclosed