SCHEMBL7687952

SCHEMBL7687952

Fc1ccc2[nH]cc(C3CCC(N4CCN(c5nccc6ccccc56)CC4)CC3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.73
OPRM1 P35372 3/20 0.54
OPRK1 P41145 3/20 0.54
OPRL1 P41146 3/20 0.54
SLC6A4 P31645 1/20 0.53

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
SCHEMBL7687958 0.86 HTR1A (0.70) HTR1ASLC6A4
SCHEMBL6642178 0.84 HTR1A (1.00) HTR1AOPRM1OPRK1OPRL1SLC6A4
SCHEMBL6638454 0.81 HTR1A (1.00) HTR1AOPRM1OPRK1OPRL1SLC6A4
SCHEMBL6636860 0.81 HTR1A (0.86) HTR1AOPRM1OPRK1OPRL1SLC6A4
SCHEMBL6636595 0.80 HTR1A (0.71) HTR1AOPRM1OPRK1OPRL1SLC6A4
SCHEMBL7692304 0.78 HTR1A (0.93) HTR1AOPRM1OPRK1OPRL1SLC6A4
SCHEMBL6635738 0.78 HTR1A (0.80) HTR1AOPRM1OPRK1OPRL1SLC6A4
SCHEMBL6641919 0.78 HTR1A (0.79) HTR1AOPRM1OPRK1OPRL1SLC6A4
SCHEMBL6637104 0.77 HTR1A (1.00) HTR1ASLC6A4
SCHEMBL6637107 0.77 HTR1A (1.00) 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-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