SCHEMBL8097321

SCHEMBL8097321

CCOC(=O)C1(c2ccccc2)CC1COC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.51
SLC6A4 P31645 2/20 0.49
SLC6A2 P23975 1/20 0.49
OPRM1 P35372 4/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
HTR2C P28335 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
ADAM17 P78536 1/20 0.46

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
SCHEMBL8097325 1.00 SLC22A1 (0.51) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL10987950 0.87 SLC22A1 (0.54) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL8105104 0.86 SLC22A1 (0.53) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL10830448 0.84 SLC22A1 (0.52) SLC22A1SLC6A4OPRM1OPRD1OPRK1
SCHEMBL9993716 0.84 SLC6A2 (0.63) SLC6A4SLC6A2HTR2C
SCHEMBL15433975 0.84 SLC6A2 (0.63) SLC6A4SLC6A2HTR2C
SCHEMBL3087335 0.84 SLC6A2 (0.63) SLC6A4SLC6A2HTR2C
SCHEMBL13720895 0.84 SLC22A1 (0.52) SLC22A1SLC6A4SLC6A2OPRM1OPRD1
SCHEMBL8110533 0.84 SLC6A2 (0.48) SLC6A4SLC6A2HTR2CSIGMAR1
SCHEMBL8105017 0.84 SLC6A2 (0.48) SLC6A4SLC6A2HTR2CSIGMAR1

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
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed