SCHEMBL29392132

SCHEMBL29392132

CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 5/20 0.55
▸ PSMB9 P28065 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ RAMP1 O60894 1/20 0.50
▸ SLC6A2 P23975 1/20 0.49

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
SCHEMBL29391626 0.94 CALCRL (0.53) CALCRLPSMB9OPRM1OPRD1OPRK1
SCHEMBL30186419 0.88 CALCRL (0.58) CALCRLOPRM1OPRD1RAMP1
SCHEMBL31277053 0.86 SLC6A2 (0.55) PSMB9OPRM1OPRD1OPRK1SLC6A2
SCHEMBL29392543 0.85 CALCRL (0.54) CALCRLPSMB9OPRM1OPRD1OPRK1
SCHEMBL30186430 0.84 CALCRL (0.61) CALCRLOPRM1OPRD1RAMP1
SCHEMBL1940130 0.82 SLC6A2 (0.51) CALCRLPSMB9OPRM1OPRD1OPRK1
SCHEMBL29392795 0.82 CALCRL (0.55) CALCRLPSMB9OPRM1OPRD1RAMP1
SCHEMBL2517666 0.82 SLC6A2 (0.53) CALCRLPSMB9OPRM1OPRD1OPRK1
SCHEMBL2517659 0.82 SLC6A2 (0.53) CALCRLPSMB9OPRM1OPRD1OPRK1
SCHEMBL22623411 0.81 XIAP (0.62) CALCRLOPRM1OPRD1OPRK1

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-3952991-A1 RUSALATIDE ACETATE COMPOSITIONS Affirmed Pharma, LLC (US) 2022-02-16 — — EP disclosed
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