SCHEMBL6609616

SCHEMBL6609616

CC(O)(c1cccc2c1OCCO2)C1CCN(CCc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.47
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 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
SCHEMBL6606267 0.77 HRH1 (0.64) HRH1
SCHEMBL6606776 0.77 HRH1 (0.56) HRH1HTR2AHTR2CHTR7HTR6
SCHEMBL17023764 0.73 HRH1 (0.77) HRH1
SCHEMBL6605503 0.72 HRH1 (0.51) HRH1HTR2AHTR2CHTR7HTR6
SCHEMBL6604991 0.70 HRH1 (0.46) HRH1HTR2AHTR2CHTR7HTR6
SCHEMBL5872011 0.67 HTR2A (0.58) HTR2AHTR2CHTR7HTR6
SCHEMBL18609333 0.66 HRH1 (0.78) HRH1
SCHEMBL20305905 0.66 HRH1 (0.76) HRH1
SCHEMBL6607904 0.66 HRH1 (0.44) HRH1
SCHEMBL2561586 0.66 HTR2A (0.61) HTR2AHTR2CHTR7HTR6

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-6756370-B1 POTENT 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2004-06-29 US disclosed
EP-1202966-B1 PIPERIDINE ALCOHOLS MERCK PATENT GMBH (DE) 2004-06-09 EP disclosed
EP-1202966-A1 PIPERIDINE ALCOHOLS MERCK PATENT GmbH (DE) 2002-05-08 EP disclosed
WO-2001014332-A1 PIPERIDINE ALCOHOLS MERCK PATENT GMBH (DE) 2001-03-01 WO disclosed