SCHEMBL6637239

SCHEMBL6637239

CNc1cc(N2CCNCC2)c2ncccc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.62
HTR2C P28335 1/20 0.62
SLC6A4 P31645 1/20 0.62
HTR6 P50406 3/20 0.46
HTR1A P08908 3/20 0.46
HTR7 P34969 2/20 0.46
DRD2 P14416 1/20 0.46
MAPT P10636 1/20 0.43
NCF1 P14598 1/20 0.41
PRKD1 Q15139 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PLD1 Q13393 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL4143098 0.82 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL3561450 0.81 SLC6A4 (0.68) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL27486349 0.80 TRPV1 (0.41) HTR2AHTR2CSLC6A4HTR1AMAPT
SCHEMBL6636331 0.80 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL3557055 0.80 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL4884479 0.80 HTR2A (0.67) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL3555203 0.79 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL4140105 0.79 HTR2A (0.62) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL1045944 0.77 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR6HTR1A
SCHEMBL6637181 0.77 HTR2A (0.59) HTR2AHTR2CSLC6A4HTR6HTR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166636-C Arylpiperazinyl-cyclohexylindole derivatives for the treatment of depression 2004-09-15 CN disclosed
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
CN-1336916-A Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PROD (US) 2002-02-20 CN 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