SCHEMBL6638249

SCHEMBL6638249

CN(C)C(=O)c1cc(N2CCN([C@H]3CC[C@@H](c4cn(C)c5ccc(C#N)cc54)CC3)CC2)c2ncccc2c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.54
CDK8 P49336 1/20 0.40
RORC P51449 3/20 0.39

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
SCHEMBL6641590 1.00 HTR1A (0.54) HTR1ACDK8RORC
SCHEMBL6636682 0.92 HTR1A (0.56) HTR1ARORC
SCHEMBL6637402 0.92 HTR1A (0.56) HTR1ARORC
SCHEMBL6636686 0.92 HTR1A (0.56) HTR1ARORC
SCHEMBL6641623 0.90 HTR1A (0.54) HTR1ARORC
SCHEMBL6641620 0.90 HTR1A (0.54) HTR1ARORC
SCHEMBL6639740 0.86 HTR1A (0.60) HTR1A
SCHEMBL6636310 0.86 HTR1A (0.58) HTR1A
SCHEMBL6640972 0.86 HTR1A (0.58) HTR1A
SCHEMBL6636312 0.86 HTR1A (0.58) HTR1A

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 3 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