SCHEMBL904818

SCHEMBL904818

CN1c2ccccc2CNS1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.48
OPRM1 P35372 8/20 0.48
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
BRPF1 P55201 1/20 0.36
GRIA2 P42262 1/20 0.36
USP30 Q70CQ3 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
ADRA2C P18825 1/20 0.34

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
SCHEMBL904845 0.77 OPRL1 (0.46) OPRL1OPRM1CA12CA1CA2
SCHEMBL3285134 0.73 SLC6A2 (0.45) OPRL1OPRM1
SCHEMBL8311345 0.71 OPRL1 (0.43) OPRL1OPRM1GRIA2DRD4
SCHEMBL3319807 0.71 DRD4 (0.42) CA12CA1CA2CA4CA7
SCHEMBL8316610 0.70 OPRL1 (0.42) OPRL1OPRM1CA12CA2CA9
SCHEMBL6866920 0.69 OPRL1 (0.67) OPRL1OPRM1GRIA2
Hydrochloric Acid SCHEMBL11099579 0.68 OPRL1 (0.66) OPRL1OPRM1GRIA2
SCHEMBL4861065 0.68 USP30 (0.48) USP30MAOAMAOBDRD2DRD1
SCHEMBL18756604 0.68 PER2 (0.46) OPRM1MAOAMAOBDRD2DRD1
SCHEMBL4480156 0.67 CA2 (0.43) OPRL1OPRM1CA12CA1CA2

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 1 patent. 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