SCHEMBL10069976

SCHEMBL10069976

COc1ccc2c(c1)CN(C(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)CCO2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.76
RYR2 Q92736 2/20 0.76
RXFP1 Q9HBX9 1/20 0.57
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 3/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 3/20 0.54
CYP3A4 P08684 2/20 0.52
ABCB11 O95342 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL806679 0.86 RYR2 (1.00) KCNH2RYR2RXFP1KMT2ASMN1; SMN2
SCHEMBL10069970 0.80 AKR1C3 (0.55) KCNH2RYR2POLBKDM4EALDH1A1
SCHEMBL27663681 0.80 ALDH1A1 (0.70) KCNH2RYR2KMT2AMEN1TDP1
SCHEMBL10069977 0.79 RYR2 (0.61) KCNH2RYR2KMT2AMEN1MAPT
SCHEMBL12265273 0.79 RYR2 (0.78) KCNH2RYR2KMT2AMEN1
SCHEMBL10069978 0.78 RYR2 (0.62) KCNH2RYR2
SCHEMBL12315668 0.76 KMT2A (0.66) KCNH2RXFP1KMT2AMEN1TDP1
SCHEMBL807044 0.73 RYR2 (0.58) RYR2
SCHEMBL1064531 0.73 ALDH1A1 (0.71) KMT2AMEN1TDP1POLBMAPT
SCHEMBL12315672 0.73 SMN1; SMN2 (0.66) KCNH2RXFP1KMT2AMEN1TDP1

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