SCHEMBL11024256

SCHEMBL11024256

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CO)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)OC)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.52
▸ AGTR1 P30556 4/20 0.52
▸ APLNR P35414 1/20 0.50
▸ EPHA2 P29317 2/20 0.49
▸ IL23R Q5VWK5 1/20 0.49
▸ AGTR2 P50052 2/20 0.49
▸ CALCR P30988 3/20 0.49
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ F2 P00734 3/20 0.49
▸ EP300 Q09472 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ SLC40A1 Q9NP59 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
SCHEMBL11021263 0.97 C5AR1 (0.53) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11162238 0.97 C5AR1 (0.53) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11170644 0.92 AGTR1 (0.55) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11023569 0.92 AGTR1 (0.55) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11023808 0.91 AGTR1 (0.50) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL8741218 0.91 C5AR1 (0.54) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11024198 0.90 AGTR1 (0.54) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11023119 0.88 AGTR1 (0.61) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL11023111 0.88 AGTR1 (0.61) C5AR1AGTR1APLNREPHA2AGTR2
SCHEMBL29973254 0.88 AGTR1 (0.61) C5AR1AGTR1EPHA2AGTR2CALCR

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
EP-0034259-B1 PEPTIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS OR DIAGNOSTIC AGENTS CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-06-12 — — EP claimed
EP-0034259-A1 Peptides, process for their preparation and medicaments or diagnostic agents containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1981-08-26 — — EP claimed
EP-0034259-B1 PEPTIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS OR DIAGNOSTIC AGENTS CONTAINING THEM RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-06-12 — — EP disclosed
EP-0034259-A1 Peptides, process for their preparation and medicaments or diagnostic agents containing them RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1981-08-26 — — EP disclosed
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