SCHEMBL11024198

SCHEMBL11024198

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)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.54
▸ AGTR2 P50052 2/20 0.54
▸ C5AR1 P21730 1/20 0.54
▸ F2 P00734 4/20 0.50
▸ NTSR1 P30989 2/20 0.50
▸ APLNR P35414 1/20 0.50
▸ EPHA2 P29317 2/20 0.50
▸ NTSR2 O95665 1/20 0.49
▸ CTSL P07711 1/20 0.48
▸ CTSH P09668 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 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
SCHEMBL11170644 0.97 AGTR1 (0.55) AGTR1AGTR2C5AR1F2NTSR1
SCHEMBL11023569 0.97 AGTR1 (0.55) AGTR1AGTR2C5AR1F2NTSR1
Trv-120027 SCHEMBL19780884 0.95 AGTR1 (0.60) AGTR1AGTR2C5AR1F2NTSR1
Trv-120027 SCHEMBL17274209 0.95 AGTR1 (0.60) AGTR1AGTR2C5AR1F2NTSR1
Trv-120027 SCHEMBL11023969 0.95 AGTR1 (0.60) AGTR1AGTR2C5AR1F2NTSR1
Trv-120027 SCHEMBL17274208 0.95 AGTR1 (0.60) AGTR1AGTR2C5AR1F2NTSR1
Trv-120027 SCHEMBL11024001 0.95 AGTR1 (0.60) AGTR1AGTR2C5AR1F2NTSR1
SCHEMBL11023111 0.94 AGTR1 (0.61) AGTR1AGTR2C5AR1F2NTSR1
SCHEMBL11023119 0.94 AGTR1 (0.61) AGTR1AGTR2C5AR1F2NTSR1
SCHEMBL30901126 0.93 AGTR1 (0.54) AGTR1AGTR2C5AR1F2NTSR1

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
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
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