SCHEMBL11291046

SCHEMBL11291046

CC1CC(c2cccc(Cl)c2)c2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.49
HTR2C P28335 6/20 0.49
HTR2B P41595 6/20 0.49
HRH3 Q9Y5N1 4/20 0.49
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 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
SCHEMBL11885856 0.90 DRD2 (0.51) HTR2AHTR2CHTR2BHRH3DRD2
SCHEMBL11885855 0.90 DRD2 (0.51) HTR2AHTR2CHTR2BHRH3DRD2
SCHEMBL11293012 0.90 HTR2A (0.56) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL11296831 0.80 HTR2A (0.46) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL11295350 0.79 HTR2A (0.41) HTR2AHTR2CHTR2BHRH3
SCHEMBL11477785 0.78 CHRNB2 (0.47) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL26772711 0.78 CHRNB2 (0.47) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL11291691 0.74 HTR2A (0.53) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL11290967 0.73 KDM1A (0.50) HTR2AHTR2CHTR2BHRH3
SCHEMBL11127418 0.73 SLC6A2 (0.69) HTR2AHTR2CHTR2BHRH3SLC6A2

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
EP-0004591-B1 SHELL CATALYST, PROCESS FOR ITS PREPARATION AND ITS USE FOR THE PREPARATION OF ANTHRAQUINONES BASF Aktiengesellschaft (DE) 1982-03-31 EP disclosed
US-4255285-A FOR THE CATALYTIC OXIDATION OF A 1-PHENYLINDAN TO AN ANTHRAQUINONE; ATOMIZING AN AQUEOUS VANADIUM COMPOUND TO COAT AND ROAST MOVING CARRIER PARTICLES BASF AKTIENGESELLSCHAFT (DE) 1981-03-10 US disclosed
EP-0004591-A1 Shell catalyst, process for its preparation and its use for the preparation of anthraquinones BASF Aktiengesellschaft (DE) 1979-10-17 EP disclosed
US-3954988-A Use of lisuride and physiologically acceptable salts thereof to achieve psychic energizer effects SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed