SCHEMBL806685

SCHEMBL806685

O=C(O)CN1CCOc2ccc(OC(F)(F)F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
RIPK1 Q13546 4/20 0.42
NTRK1 P04629 1/20 0.40
ACACB O00763 1/20 0.39
PIK3CA P42336 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
KCNH2 Q12809 2/20 0.38
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN8A Q9UQD0 1/20 0.38

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
SCHEMBL4789461 0.86 RIPK1 (0.43) CYP3A4CYP2D6HIF1ARIPK1ACACB
SCHEMBL10070995 0.81 RIPK1 (0.48) RIPK1PIK3CAP2RY1EPHX2PTGS1
SCHEMBL14023336 0.77 RIPK1 (0.48) RIPK1PIK3CAP2RY1
SCHEMBL10074955 0.77 RIPK1 (0.47) RIPK1PIK3CAP2RY1EPHX2
SCHEMBL807151 0.75 RIPK1 (0.47) RIPK1PIK3CA
SCHEMBL10070492 0.74 RYR2 (0.46) RIPK1PIK3CAKCNH2SCN9ASCN10A
SCHEMBL10070490 0.74 RIPK1 (0.44) RIPK1PIK3CAKCNH2SCN9ASCN10A
SCHEMBL10075222 0.71 RIPK1 (0.46) RIPK1PIK3CA
SCHEMBL10074953 0.71 RIPK1 (0.46) RIPK1PIK3CAPRMT5WDR77
SCHEMBL14480914 0.70 PIK3CA (0.71) PIK3CA

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