SCHEMBL6639963

SCHEMBL6639963

c1cnc2c(N3CCNCC3)ccnc2c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.65
ADRB2 P07550 3/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
SLC6A4 P31645 1/20 0.65
MAPT P10636 2/20 0.52
HTR6 P50406 1/20 0.48
HTR7 P34969 1/20 0.48
PLD1 Q13393 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5363405 0.89 HTR2A (0.67) NCF1ADRB2HTR2AHTR2CSLC6A4
SCHEMBL1045944 0.79 HTR2A (1.00) NCF1HTR2AHTR2CSLC6A4MAPT
SCHEMBL900231 0.79 NCF1 (1.00) NCF1ADRB2HTR2AHTR2CHTR6
SCHEMBL30041391 0.79 NCF1 (1.00) NCF1ADRB2HTR2AHTR2CHTR6
Hydrochloric Acid SCHEMBL1048620 0.77 HTR2A (0.97) NCF1HTR2AHTR2CSLC6A4MAPT
SCHEMBL2884262 0.77 NCF1 (0.79) NCF1ADRB2HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL30061214 0.77 NCF1 (0.97) NCF1ADRB2HTR2AHTR2CHTR6
Hydrochloric Acid SCHEMBL3711412 0.76 NCF1 (0.77) NCF1ADRB2HTR2AHTR2CSLC6A4
SCHEMBL10495676 0.76 HTR2C (0.68) NCF1ADRB2HTR2AHTR2CSLC6A4
Methyl Alcohol SCHEMBL27731985 0.75 HTR2A (0.91) NCF1HTR2AHTR2CSLC6A4MAPT

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