SCHEMBL7291452

SCHEMBL7291452

CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.51
▸ LNPEP Q9UIQ6 4/20 0.49
▸ ANPEP P15144 2/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ AGTR2 P50052 1/20 0.48
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ F2 P00734 1/20 0.45

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
SCHEMBL29701255 0.87 SLC6A2 (0.63) RENLNPEPANPEPSLC6A2AGTR1
SCHEMBL29966464 0.86 LNPEP (0.49) LNPEPANPEPSLC6A2AGTR1AGTR2
SCHEMBL30368139 0.85 REN (0.53) RENLNPEPANPEPSLC6A2AGTR1
SCHEMBL10066200 0.84 AGTR1 (0.62) RENLNPEPANPEPSLC6A2AGTR1
SCHEMBL29701316 0.84 ACE (0.49) SLC6A2OPRM1OPRD1OPRK1ACE
SCHEMBL29524174 0.83 F2 (0.60) RENSLC6A2AGTR1AGTR2OPRM1
SCHEMBL30670298 0.83 AGTR1 (0.62) LNPEPANPEPSLC6A2AGTR1AGTR2
SCHEMBL11212701 0.83 AGTR1 (0.54) LNPEPANPEPSLC6A2AGTR1AGTR2
SCHEMBL11212707 0.83 AGTR1 (0.54) LNPEPANPEPSLC6A2AGTR1AGTR2
SCHEMBL29655296 0.83 NTSR2 (0.58) RENLNPEPAGTR1AGTR2

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
US-5225528-A Controlling premature labor MERCK & CO., INC. (US) 1993-07-06 — — US disclosed
EP-0444898-A1 Cyclic hexapeptide oxytocin antagonists MERCK & CO. INC. (US) 1991-09-04 — — EP disclosed
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