SCHEMBL16212659

SCHEMBL16212659

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.54
▸ NTSR2 O95665 3/20 0.50
▸ NTSR1 P30989 3/20 0.50
▸ SORT1 Q99523 3/20 0.50
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ OPRM1 P35372 6/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ APLNR P35414 1/20 0.49

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
SCHEMBL14921065 0.94 C5AR1 (0.49) C5AR1NTSR2NTSR1SORT1CTSL
SCHEMBL30504860 0.94 C5AR1 (0.52) C5AR1NTSR2NTSR1SORT1CTSL
SCHEMBL31409175 0.93 C5AR1 (0.53) C5AR1NTSR2NTSR1SORT1APLNR
SCHEMBL30512749 0.91 NPY2R (0.55) C5AR1APLNR
SCHEMBL30230017 0.90 OPRM1 (0.58) CTSLCTSSCTSKCTSHOPRM1
SCHEMBL29608118 0.90 C5AR1 (0.59) C5AR1NTSR2NTSR1SORT1OPRM1
SCHEMBL29608007 0.90 C5AR1 (0.59) C5AR1NTSR2NTSR1SORT1OPRM1
SCHEMBL29634905 0.90 AGTR1 (0.56) C5AR1NTSR2NTSR1SORT1
SCHEMBL29607931 0.90 C5AR1 (0.55) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29608041 0.90 C5AR1 (0.58) C5AR1NTSR2NTSR1SORT1OPRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109806395-A Medical usage 瓦力雷克斯有限公司 2019-05-28 — — CN disclosed
CN-104136082-B medical use 瓦力雷克斯有限公司 2019-03-08 — — CN disclosed
EP-2991662-A2 MODULATORS OF THE SRC-KINASE ACTIVITY FOR PREVENTING OR TREATING METASTATIC CANCER Cancer Research Technology Ltd (GB) 2016-03-09 — — EP disclosed
WO-2014177868-A2 MEDICAL USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-11-06 — — WO disclosed
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