SCHEMBL6637786

SCHEMBL6637786

Cn1cc(C2CCCCC2=O)c2cc(C#N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
RORC P51449 6/20 0.41
HTR1A P08908 1/20 0.41
GSK3B P49841 2/20 0.37
SCARB1 Q8WTV0 1/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36

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
SCHEMBL29104136 0.83 KDM4E (0.39) SLC6A4RORCCNR1
SCHEMBL29104115 0.81 GSK3B (0.43) SLC6A4RORCGSK3BCDK9CDK5
SCHEMBL7848407 0.81 DRD2 (0.51) SLC6A4RORCHTR1A
SCHEMBL29104126 0.81 KMT2A (0.39) SLC6A4HTR1AGSK3BGSK3ACNR1
SCHEMBL29104149 0.80 MTNR1A (0.43) GSK3B
SCHEMBL6636075 0.79 SLC6A4 (0.53) SLC6A4RORCHTR1AGSK3BAURKA
SCHEMBL28544938 0.78 LMNA (0.48) CDK9
SCHEMBL3886520 0.77 SLC6A4 (0.51) SLC6A4RORCHTR1AGSK3BAURKA
Ethylene SCHEMBL7478496 0.77 SLC6A4 (0.51) SLC6A4RORCHTR1AGSK3BAURKA
SCHEMBL29104121 0.75 SCN9A (0.40) SLC6A4GSK3BCNR1

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