SCHEMBL6636682

SCHEMBL6636682

Cn1cc([C@H]2CC[C@H](N3CCN(c4cc(C(=O)O)cc5cccnc45)CC3)CC2)c2cc(C#N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.56
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RORC P51449 3/20 0.40

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
SCHEMBL6637402 1.00 HTR1A (0.56) HTR1AKCNH2HRH3RORC
SCHEMBL6636686 1.00 HTR1A (0.56) HTR1AKCNH2HRH3RORC
SCHEMBL6641620 0.92 HTR1A (0.54) HTR1ARORC
SCHEMBL6638249 0.92 HTR1A (0.54) HTR1ARORC
SCHEMBL6641590 0.92 HTR1A (0.54) HTR1ARORC
SCHEMBL6641623 0.92 HTR1A (0.54) HTR1ARORC
SCHEMBL6639740 0.90 HTR1A (0.60) HTR1A
SCHEMBL6636310 0.88 HTR1A (0.58) HTR1A
SCHEMBL6640972 0.88 HTR1A (0.58) HTR1A
SCHEMBL6636312 0.88 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