SCHEMBL5975554

SCHEMBL5975554

CCN(CC)C(=O)c1ccc([C@H](c2cccc(NC(=O)O)c2)N2CCNCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.75
OPRM1 P35372 12/20 0.75
OPRK1 P41145 6/20 0.70
KCNH2 Q12809 1/20 0.56

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
SCHEMBL2006440 1.00 OPRD1 (0.75) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5175825 0.92 OPRD1 (0.76) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5173818 0.92 OPRD1 (0.76) OPRD1OPRM1OPRK1KCNH2
SCHEMBL14343287 0.92 OPRD1 (0.72) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5172446 0.92 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL5173044 0.92 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL5175014 0.92 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL5618411 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5618406 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1KCNH2
SCHEMBL5174644 0.91 OPRD1 (0.73) OPRD1OPRM1OPRK1KCNH2

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
EP-1706393-A1 DIARYLMETHYL PIPERAZINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-10-04 EP claimed
WO-2005066148-A1 DIARYLMETHYL PIPERAZINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-07-21 WO claimed