SCHEMBL8089140

SCHEMBL8089140

CN(C(=O)Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1N)[C@H](CN1CCCC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 20/20 0.73
CYP2D6 P10635 6/20 0.62
OPRM1 P35372 7/20 0.61
OPRD1 P41143 6/20 0.61
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL5631916 0.87 OPRK1 (0.80) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL6480763 0.84 OPRK1 (0.78) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL6359695 0.84 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL5631993 0.83 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL17870633 0.83 OPRK1 (1.00) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL5655311 0.81 OPRK1 (0.73) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL7176760 0.81 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL5629650 0.81 OPRK1 (0.75) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL16379856 0.77 OPRK1 (0.67) OPRK1CYP2D6OPRM1OPRD1CYP3A4
SCHEMBL6478584 0.77 OPRK1 (0.82) OPRK1CYP2D6OPRM1OPRD1CYP3A4

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-6028063-A ADMINISTERING COMPOUND WITH OPIOID ACTIVITY ADOLOR CORPORATION (US) 2000-02-22 US claimed