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SCHEMBL30359271

SCHEMBL30359271

CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.64
▸ TFPI P10646 6/20 0.59
▸ OPRM1 P35372 6/20 0.58
▸ OPRK1 P41145 6/20 0.58
▸ NMUR2 Q9GZQ4 3/20 0.56
▸ NMUR1 Q9HB89 3/20 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
SCHEMBL30359268 1.00 APLNR (0.64) APLNRTFPIOPRM1OPRK1NMUR2
SCHEMBL30359269 1.00 APLNR (0.64) APLNRTFPIOPRM1OPRK1NMUR2
SCHEMBL30359266 1.00 APLNR (0.64) APLNRTFPIOPRM1OPRK1NMUR2
SCHEMBL30359263 0.96 APLNR (0.58) APLNRTFPIOPRM1OPRK1NMUR2
SCHEMBL19706377 0.95 APLNR (0.65) APLNRTFPINMUR2NMUR1
SCHEMBL30359272 0.92 OPRM1 (0.62) APLNRTFPIOPRM1OPRK1NMUR2
SCHEMBL30958075 0.86 APLNR (0.79) APLNR
SCHEMBL30958047 0.86 APLNR (0.79) APLNR
SCHEMBL30958078 0.85 APLNR (0.77) APLNR
SCHEMBL19706378 0.83 APLNR (0.53) APLNRTFPIOPRM1OPRK1NMUR2

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-3237435-B1 METABOLICALLY STABLE APELIN ANALOGS IN THE TREATMENT OF DISEASE MEDIATED BY THE APELIN RECEPTOR INST NAT SANTE RECH MED (FR) 2023-05-24 — — EP disclosed
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