SCHEMBL30416793

SCHEMBL30416793

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NRP1 O14786 2/20 0.46
▸ OPRM1 P35372 9/20 0.46
▸ OPRK1 P41145 9/20 0.46
▸ EPHA2 P29317 2/20 0.43
▸ GRB2 P62993 1/20 0.42
▸ RAMP3 O60896 5/20 0.41
▸ CALCR P30988 5/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41

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
SCHEMBL22803169 0.95 NRP1 (0.45) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL29535207 0.89 OPRM1 (0.52) NRP1OPRM1OPRK1EPHA2RAMP3
SCHEMBL22872708 0.89 NRP1 (0.54) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL20694547 0.89 NRP1 (0.46) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL29723642 0.88 OPRM1 (0.51) NRP1OPRM1OPRK1EPHA2
SCHEMBL29571627 0.88 NRP1 (0.54) NRP1OPRM1OPRK1
SCHEMBL24716410 0.87 NRP1 (0.45) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL30452201 0.86 NRP1 (0.43) NRP1OPRM1OPRK1EPHA2GRB2
SCHEMBL29801770 0.86 OPRM1 (0.48) NRP1OPRM1OPRK1
SCHEMBL22803170 0.85 NRP1 (0.42) NRP1OPRM1OPRK1EPHA2GRB2

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
CN-112159461-B Synthesis method of cetrorelix 开封明仁药业有限公司 2023-03-10 — — CN disclosed
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