SCHEMBL7687958

SCHEMBL7687958

N#Cc1ccc2[nH]cc(C3CCC(N4CCN(c5nccc6ccccc56)CC4)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.70
SLC6A4 P31645 7/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A3 Q01959 2/20 0.59

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
SCHEMBL7687952 0.86 HTR1A (0.73) HTR1ASLC6A4
SCHEMBL6642082 0.82 HTR1A (1.00) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6638832 0.81 HTR1A (0.73) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6637002 0.80 HTR1A (0.77) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7696681 0.79 HTR1A (0.93) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6639816 0.79 HTR1A (0.81) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7515529 0.78 HTR1A (0.62) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6634687 0.77 HTR1A (0.78) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6635714 0.77 HTR1A (0.69) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6634908 0.77 HTR1A (0.80) HTR1ASLC6A4SLC6A2SLC6A3

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-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed