SCHEMBL7932463

SCHEMBL7932463

O=C(NN(C1CCC1)C1CCC1)c1ccc(F)c2c1C[C@@H](N(C1CCC1)C1CCC1)CO2

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.71
SLC6A4 P31645 16/20 0.44

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
SCHEMBL7616889 0.84 HTR1A (0.80) HTR1ASLC6A4
SCHEMBL7616883 0.84 HTR1A (0.80) HTR1ASLC6A4
SCHEMBL7619191 0.83 HTR1A (0.78) HTR1ASLC6A4
Robalzotan SCHEMBL4811762 0.83 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL7619185 0.83 HTR1A (0.78) HTR1ASLC6A4
Robalzotan SCHEMBL115079 0.83 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL6820286 0.82 HTR1A (0.98) HTR1ASLC6A4
SCHEMBL6820275 0.82 HTR1A (0.98) HTR1ASLC6A4
SCHEMBL6309751 0.81 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL7936073 0.80 HTR1A (0.45) HTR1ASLC6A4

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-6184219-B1 Composition and methods employing it for the treatment of 5-HT-mediated disorders ASTRA AKTIEBOLAG (SE) 2001-02-06 US disclosed