SCHEMBL807141

SCHEMBL807141

COc1ccc2c(c1)CN(C(=O)C(=O)O)CCC2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 5/20 0.61
HSD17B10 Q99714 1/20 0.54
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
DRD1 P21728 6/20 0.50
DRD5 P21918 5/20 0.50
DRD2 P14416 4/20 0.50
DRD4 P21917 4/20 0.50
DRD3 P35462 4/20 0.50
AKR1C3 P42330 2/20 0.50
ABHD6 Q9BV23 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NOTUM Q6P988 1/20 0.45

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
SCHEMBL807139 0.89 RYR2 (0.62) RYR2HSD17B10ESR1ESR2DRD1
SCHEMBL5446558 0.81 ESR1 (0.59) RYR2HSD17B10ESR1ESR2DRD1
SCHEMBL5446563 0.79 DRD1 (0.54) RYR2HSD17B10ESR1ESR2DRD1
SCHEMBL14385483 0.78 HSD17B10 (0.49) HSD17B10ESR1ESR2DRD1DRD5
SCHEMBL8247399 0.78 ESR1 (0.63) ESR1ESR2DRD1DRD5ABHD6
SCHEMBL7847325 0.77 ESR1 (0.85) RYR2HSD17B10ESR1ESR2DRD1
SCHEMBL30677763 0.77 ESR1 (0.57) RYR2ESR1ESR2ABHD6CA1
SCHEMBL15880544 0.77 ESR1 (0.57) RYR2ESR1ESR2ABHD6CA1
SCHEMBL5123364 0.77 DRD1 (0.76) RYR2HSD17B10DRD1DRD5DRD2
SCHEMBL13580211 0.77 ABHD6 (0.62) ESR1ESR2DRD1DRD5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037105-A1 METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO disclosed
WO-2012019071-A1 METHODS OF PREVENTING AND TREATING SARCOPENIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
WO-2012019076-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed