SCHEMBL904845

SCHEMBL904845

CCN1c2ccccc2CNS1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.46
OPRM1 P35372 8/20 0.46
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
GRIA2 P42262 2/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL8311345 0.81 OPRL1 (0.43) OPRL1OPRM1GRIA2
SCHEMBL8316610 0.80 OPRL1 (0.42) OPRL1OPRM1GRIA2CA12CA9
SCHEMBL904818 0.77 OPRL1 (0.48) OPRL1OPRM1GRIA2CA12CA9
SCHEMBL14094159 0.74 OPRL1 (0.39) OPRL1OPRM1ALDH1A1
SCHEMBL24567751 0.74 PER2 (0.50) ALDH1A1HPGDKDM4EPSEN1PSEN2
SCHEMBL20857619 0.71 PER2 (0.52) ALDH1A1HPGDKDM4ECA12CA9
SCHEMBL17858470 0.70 KDM4E (0.44) OPRL1OPRM1ALDH1A1HPGDKDM4E
SCHEMBL3285134 0.69 SLC6A2 (0.45) OPRL1OPRM1
SCHEMBL6866920 0.66 OPRL1 (0.67) OPRL1OPRM1GRIA2
SCHEMBL21400342 0.66 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed