SCHEMBL8353137

SCHEMBL8353137

CCC(C)c1nc(SC)cn1Cc1ccc(-c2ccccc2S(=O)(=O)N=CN(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
AGTR2 P50052 6/20 0.35
AGTR1 P30556 4/20 0.35

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
SCHEMBL8353149 0.83 AGTR1 (0.43) AGTR2AGTR1
SCHEMBL8353001 0.74 OPRM1 (0.35) OPRM1OPRK1AGTR2AGTR1
SCHEMBL8346738 0.72 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL8353003 0.71 AGTR1 (0.53) AGTR2AGTR1
SCHEMBL8347253 0.71 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL7567015 0.70 LMNA (0.39) OPRM1OPRK1
SCHEMBL7567012 0.70 LMNA (0.39) OPRM1OPRK1
SCHEMBL6066478 0.70 LMNA (0.39) OPRM1OPRK1
SCHEMBL6066487 0.70 LMNA (0.39) OPRM1OPRK1
SCHEMBL654704 0.70 LMNA (0.39) OPRM1OPRK1

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
US-5977155-A CARDIOVASCULAR, KIDNEYS HOECHST MARION ROUSSEL (FR) 1999-11-02 US disclosed