SCHEMBL30504860

SCHEMBL30504860

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(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.52
▸ NTSR2 O95665 3/20 0.50
▸ NTSR1 P30989 3/20 0.50
▸ SORT1 Q99523 3/20 0.50
▸ OPRM1 P35372 6/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ APLNR P35414 1/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSH P09668 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CXCR4 P61073 1/20 0.48
▸ REN P00797 1/20 0.48

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
SCHEMBL16212659 0.94 C5AR1 (0.54) C5AR1NTSR2NTSR1SORT1OPRM1
SCHEMBL31409175 0.93 C5AR1 (0.53) C5AR1NTSR2NTSR1SORT1APLNR
SCHEMBL30229960 0.92 CTSL (0.51) C5AR1NTSR2NTSR1SORT1OPRM1
SCHEMBL30339898 0.91 CTSL (0.53) C5AR1OPRM1OPRK1APLNRCTSL
SCHEMBL30230017 0.90 OPRM1 (0.58) OPRM1OPRK1CTSLCTSHCTSS
SCHEMBL30229850 0.89 REN (0.56) C5AR1OPRM1OPRK1APLNRMAPK8
SCHEMBL30229695 0.89 REN (0.56) C5AR1OPRM1OPRK1APLNRMAPK8
SCHEMBL14921065 0.89 C5AR1 (0.49) C5AR1NTSR2NTSR1SORT1OPRM1
SCHEMBL31409140 0.89 APLNR (0.55) C5AR1OPRM1OPRK1APLNRMAPK8
SCHEMBL30512749 0.89 NPY2R (0.55) C5AR1APLNRCXCR4

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-20230226138-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS AND NETOPATHY BLACK CAT BIO LIMITED (GB) 2023-07-20 — — US disclosed
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