SCHEMBL6638499

SCHEMBL6638499

COc1cc(N2CCN(C3CCC(c4c[nH]c5ccc(C#N)cc45)CC3)CC2)c2cc[nH]c2c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.75
SLC6A4 P31645 3/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61

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
SCHEMBL6638497 1.00 HTR1A (0.75) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6635628 0.86 HTR1A (1.00) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6634687 0.83 HTR1A (0.78) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6635241 0.80 HTR1A (1.00) HTR1A
SCHEMBL6634521 0.80 HTR1A (1.00) HTR1A
SCHEMBL6634518 0.80 HTR1A (1.00) HTR1A
SCHEMBL6637045 0.80 HTR1A (0.70) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7691693 0.80 HTR1A (0.71) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL6639171 0.79 HTR1A (0.69) HTR1ASLC6A4SLC6A2SLC6A3
SCHEMBL7489039 0.77 SLC6A4 (0.62) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
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
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed