SCHEMBL30229960

SCHEMBL30229960

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](N)Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.51
▸ CTSS P25774 3/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSH P09668 1/20 0.51
▸ PLK1 P53350 1/20 0.48
▸ APLNR P35414 1/20 0.46
▸ OPRM1 P35372 6/20 0.46
▸ OPRK1 P41145 6/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ C5AR1 P21730 1/20 0.45
▸ NTSR2 O95665 1/20 0.44
▸ NTSR1 P30989 1/20 0.44
▸ SORT1 Q99523 1/20 0.44
▸ EPHA2 P29317 2/20 0.44
▸ CXCR4 P61073 1/20 0.43

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
SCHEMBL30504860 0.92 C5AR1 (0.52) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30339898 0.90 CTSL (0.53) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL30230017 0.87 OPRM1 (0.58) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL16212659 0.86 C5AR1 (0.54) CTSLCTSSCTSKCTSHAPLNR
SCHEMBL29634905 0.86 AGTR1 (0.56) C5AR1NTSR2NTSR1SORT1EPHA2
SCHEMBL29429586 0.86 NTSR1 (0.56) C5AR1NTSR2NTSR1SORT1EPHA2
SCHEMBL29608099 0.86 APLNR (0.50) CTSLCTSSCTSKCTSHPLK1
SCHEMBL30504861 0.86 OPRM1 (0.53) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL22022379 0.86 OPRM1 (0.53) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL30609015 0.85 CTSL (0.50) CTSLCTSSCTSKCTSHPLK1

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
Send feedback