SCHEMBL7965634

SCHEMBL7965634

c1ccc2ncc(C3CCN(CCCOc4cccc5[nH]ccc45)CC3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.47
SLC6A4 P31645 4/20 0.47
DRD4 P21917 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL7876375 0.87 HTR1A (0.51) HTR1ASLC6A4DRD4HRH3
SCHEMBL7966021 0.85 HTR1A (0.47) HTR1ASLC6A4
SCHEMBL7966017 0.84 HTR1A (0.46) HTR1ASLC6A4
SCHEMBL7966018 0.84 HTR1A (0.68) HTR1ASLC6A4
SCHEMBL7884092 0.84 HTR1A (0.51) HTR1ASLC6A4HRH3
SCHEMBL7881284 0.83 HRH3 (0.52) HTR1ASLC6A4HRH3
SCHEMBL7963898 0.82 CHRNA7 (0.43) HTR1ASLC6A4DRD4HRH3
SCHEMBL7885417 0.82 HTR1A (0.54) HTR1ASLC6A4
SCHEMBL7963782 0.80 HTR1A (0.47) HTR1ASLC6A4DRD4HRH3
SCHEMBL7967101 0.80 HTR1A (0.40) HTR1ASLC6A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed