SCHEMBL11208567

SCHEMBL11208567

CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.56
▸ MC4R P32245 1/20 0.51
▸ AGTR1 P30556 3/20 0.51
▸ EPHA2 P29317 2/20 0.51
▸ AGTR2 P50052 1/20 0.51
▸ APLNR P35414 1/20 0.51
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47
▸ F2 P00734 1/20 0.47
▸ IL23R Q5VWK5 1/20 0.46

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
SCHEMBL30901126 0.97 AGTR1 (0.54) C5AR1MC4RAGTR1EPHA2AGTR2
Saralasin SCHEMBL23 0.94 C5AR1 (0.59) C5AR1MC4RAGTR1EPHA2AGTR2
Saralasin SCHEMBL18699973 0.94 C5AR1 (0.59) C5AR1MC4RAGTR1EPHA2AGTR2
Saralasin SCHEMBL2199404 0.93 C5AR1 (0.58) C5AR1MC4RAGTR1EPHA2AGTR2
SCHEMBL34470213 0.93 C5AR1 (0.60) C5AR1MC4RAGTR1EPHA2AGTR2
Saralasin SCHEMBL125013 0.93 C5AR1 (0.58) C5AR1AGTR1EPHA2AGTR2APLNR
SCHEMBL19780882 0.92 C5AR1 (0.60) C5AR1MC4RAGTR1EPHA2AGTR2
Saralasin SCHEMBL2200145 0.92 C5AR1 (0.57) C5AR1AGTR1EPHA2AGTR2APLNR
SCHEMBL11022870 0.92 AGTR1 (0.53) C5AR1MC4RAGTR1EPHA2AGTR2
SCHEMBL11023111 0.91 AGTR1 (0.61) C5AR1AGTR1EPHA2AGTR2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034260-B1 PEPTIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS OR DIAGNOSTIC AGENTS CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1983-07-20 — — EP disclosed
US-3915948-A Sarcosyl-L-arginyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-proline NORWICH EATON PHARMACEUTICALS, INC., A CORP. OF OH 1975-10-28 — — US disclosed
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