SCHEMBL30229850

SCHEMBL30229850

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.56
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ C5AR1 P21730 1/20 0.48
▸ APLNR P35414 1/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSH P09668 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ OPRK1 P41145 2/20 0.47

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
SCHEMBL30229695 1.00 REN (0.56) RENMAPK8MAPK9MAPK10C5AR1
SCHEMBL30229795 0.92 REN (0.54) RENMAPK8MAPK9MAPK10CTSL
SCHEMBL30339509 0.92 CTSL (0.51) RENMAPK8MAPK9MAPK10APLNR
SCHEMBL30504861 0.90 OPRM1 (0.53) CTSLCTSHCTSSCTSKOPRM1
SCHEMBL22022379 0.90 OPRM1 (0.53) CTSLCTSHCTSSCTSKOPRM1
SCHEMBL30504860 0.89 C5AR1 (0.52) RENMAPK8MAPK9MAPK10C5AR1
SCHEMBL16212659 0.89 C5AR1 (0.54) C5AR1APLNRCTSLCTSHCTSS
SCHEMBL29607547 0.87 REN (0.53) RENMAPK8MAPK9MAPK10C5AR1
SCHEMBL30230017 0.87 OPRM1 (0.58) CTSLCTSHCTSSCTSKOPRM1
SCHEMBL31409175 0.87 C5AR1 (0.53) RENC5AR1APLNR

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-11560406-B2 Anti-androgen peptides and uses thereof in cancer therapy CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-01-24 — — US disclosed
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