SCHEMBL807044

SCHEMBL807044

COc1ccc2c(c1)CN(C(=O)C(=O)O)CCO2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 5/20 0.58
RIPK1 Q13546 4/20 0.54
GPR142 Q7Z601 8/20 0.50
CREBBP Q92793 1/20 0.46
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MTNR1A P48039 1/20 0.43

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
SCHEMBL806996 0.90 RYR2 (0.60) RYR2RIPK1GPR142CREBBPMTNR1A
SCHEMBL10069970 0.85 AKR1C3 (0.55) RYR2RIPK1GPR142CREBBP
SCHEMBL10070995 0.84 RIPK1 (0.48) RYR2RIPK1GPR142ESR1ESR2
SCHEMBL10069977 0.84 RYR2 (0.61) RYR2RIPK1GPR142CREBBP
SCHEMBL4789441 0.82 RIPK1 (0.52) RYR2RIPK1GPR142CREBBPESR1
SCHEMBL10069978 0.82 RYR2 (0.62) RYR2RIPK1GPR142CREBBP
SCHEMBL807157 0.81 RIPK1 (0.45) RYR2RIPK1GPR142
SCHEMBL807151 0.77 RIPK1 (0.47) RYR2RIPK1GPR142CREBBPESR1
SCHEMBL6439080 0.77 PKM (0.48) RYR2RIPK1GPR142MTNR1A
SCHEMBL807141 0.76 RYR2 (0.61) RYR2ESR1ESR2

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-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-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-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed