SCHEMBL7485877

SCHEMBL7485877

N#Cc1ccc2[nH]cc(C3CCN(C4CCN(c5cccc6ncccc56)CC4)CC3)c2c1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.87
SLC6A4 P31645 6/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51

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
SCHEMBL6642082 0.81 HTR1A (1.00) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7696681 0.79 HTR1A (0.93) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6637002 0.78 HTR1A (0.77) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6635628 0.77 HTR1A (1.00) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6638832 0.77 HTR1A (0.73) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7497631 0.76 HTR1A (0.57) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6641848 0.76 HTR1A (0.71) HTR1ASLC6A4
SCHEMBL6637045 0.76 HTR1A (0.70) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6639816 0.75 HTR1A (0.81) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6635714 0.75 HTR1A (0.69) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146871-A4 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2002-04-17 EP claimed
CN-1342074-A Antidepressant heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2002-03-27 CN claimed
EP-1146871-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2001-10-24 EP claimed
US-6225324-B1 POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2001-05-01 US claimed
WO-2000044376-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 WO claimed
EP-1146871-A4 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2002-04-17 EP disclosed
CN-1342074-A Antidepressant heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2002-03-27 CN disclosed
EP-1146871-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2001-10-24 EP disclosed
US-6225324-B1 POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2001-05-01 US disclosed
WO-2000044376-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 WO disclosed