Cyclohexanone

Cyclohexanone

SCHEMBL6635583

O=C1CCC(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.O=C1CCCCC1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
APP P05067 1/20 0.39
SLC6A4 P31645 7/20 0.39
HSD11B1 P28845 1/20 0.39
HTR1A P08908 3/20 0.39
HTR1B P28222 3/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR1D P28221 2/20 0.39
HTR1F P30939 2/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 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
SCHEMBL7855640 0.78 SLC6A4 (0.44) IDO1APPSLC6A4HTR1AHTR1B
SCHEMBL5793597 0.78 SLC6A4 (0.56) IDO1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL7841722 0.77 HTR1D (0.45) IDO1OPRM1OPRK1OPRL1SLC6A4
Ethylene SCHEMBL6638987 0.76 SLC6A4 (0.54) IDO1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL7844484 0.75 HTR1D (0.48) IDO1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL6634183 0.75 SLC6A4 (0.56) IDO1OPRM1OPRK1OPRL1APP
SCHEMBL2217699 0.75 SLC6A4 (0.56) IDO1APPSLC6A4HTR1AHTR1B
SCHEMBL18324822 0.74 KDM4E (0.65) IDO1HSD11B1HTR1AHTR1BHTR1D
SCHEMBL18324821 0.74 IDO1 (0.49) IDO1APPHTR1AHTR1BHTR1D
SCHEMBL5792377 0.72 SLC6A4 (0.63) IDO1SLC6A4HTR1AHTR1BDRD1

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