SCHEMBL10070490

SCHEMBL10070490

O=C(C(=O)N1CCOc2ccc(OC(F)(F)F)cc2C1)N1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.44
PIK3CA P42336 9/20 0.41
GPR142 Q7Z601 1/20 0.38
ABL1 P00519 1/20 0.38
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
RYR2 Q92736 1/20 0.37

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
SCHEMBL10070492 0.91 RYR2 (0.46) RIPK1PIK3CAGPR142ABL1SCN7A
SCHEMBL10070995 0.88 RIPK1 (0.48) RIPK1PIK3CAGPR142RYR2
SCHEMBL10074955 0.85 RIPK1 (0.47) RIPK1PIK3CAGPR142
SCHEMBL14023336 0.85 RIPK1 (0.48) RIPK1PIK3CAGPR142
SCHEMBL807151 0.83 RIPK1 (0.47) RIPK1PIK3CAGPR142RYR2
SCHEMBL10075222 0.83 RIPK1 (0.46) RIPK1PIK3CA
SCHEMBL10069978 0.76 RYR2 (0.62) RIPK1GPR142KCNH2RYR2
SCHEMBL10074953 0.75 RIPK1 (0.46) RIPK1PIK3CA
SCHEMBL806685 0.74 CYP3A4 (0.43) RIPK1PIK3CAABL1KCNH2SCN9A
SCHEMBL14480703 0.72 PIK3CA (0.51) RIPK1PIK3CAGPR142KCNH2SCN9A

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