SCHEMBL4381622

SCHEMBL4381622

CS(=O)(=O)Nc1cccc(C23CCCC(C2)N(C(=O)O)CC3)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.47
HRH3 Q9Y5N1 1/20 0.42
OPRM1 P35372 17/20 0.42
OPRD1 P41143 14/20 0.42
KCNH2 Q12809 2/20 0.42

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
SCHEMBL4017796 0.87 OPRK1 (0.43) OPRK1HRH3OPRM1OPRD1KCNH2
SCHEMBL4019776 0.82 OPRM1 (0.46) OPRK1HRH3OPRM1OPRD1KCNH2
SCHEMBL4021250 0.81 OPRM1 (0.48) OPRK1OPRM1OPRD1
SCHEMBL4023153 0.81 OPRK1 (0.49) OPRK1HRH3OPRM1OPRD1KCNH2
SCHEMBL4023573 0.81 OPRK1 (0.44) OPRK1HRH3OPRM1OPRD1KCNH2
SCHEMBL4023569 0.81 OPRM1 (0.45) OPRK1HRH3OPRM1OPRD1KCNH2
SCHEMBL4024054 0.80 OPRM1 (0.44) OPRK1HRH3OPRM1OPRD1KCNH2
SCHEMBL4021766 0.80 OPRM1 (0.51) OPRK1OPRM1OPRD1
SCHEMBL4019164 0.79 OPRM1 (0.44) OPRK1HRH3OPRM1OPRD1KCNH2
SCHEMBL4022809 0.79 OPRK1 (0.44) OPRK1OPRM1OPRD1KCNH2

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
EP-1615893-B1 2-AZABICYCLO¬3.3.1 NONANE DERIVATIVES AS OPIOID RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-11-18 EP disclosed