SCHEMBL29794156

SCHEMBL29794156

CC(C)C[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.55
▸ ECE1 P42892 5/20 0.55
▸ GHSR Q92847 3/20 0.55
▸ NPBWR1 P48145 2/20 0.54
▸ KISS1R Q969F8 1/20 0.52
▸ CXCR4 P61073 2/20 0.52
▸ ACE P12821 1/20 0.51
▸ IL1RN P18510 2/20 0.51
▸ ERAP1 Q9NZ08 1/20 0.51

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
SCHEMBL30092942 0.96 NPBWR1 (0.57) ERAP2GHSRNPBWR1KISS1RCXCR4
SCHEMBL28664028 0.96 ECE1 (0.59) ERAP2ECE1KISS1RACEIL1RN
SCHEMBL28664025 0.96 ECE1 (0.59) ERAP2ECE1KISS1RACEIL1RN
SCHEMBL30522762 0.95 ECE1 (0.58) ERAP2ECE1KISS1RACEIL1RN
SCHEMBL29794137 0.95 GHSR (0.57) ECE1GHSRNPBWR1KISS1RCXCR4
SCHEMBL31229004 0.94 ERAP2 (0.62) ERAP2ECE1KISS1RACEIL1RN
SCHEMBL31146271 0.94 ERAP2 (0.57) ERAP2GHSRNPBWR1KISS1RCXCR4
SCHEMBL30402141 0.93 NPBWR1 (0.58) ERAP2GHSRNPBWR1KISS1R
SCHEMBL29794180 0.93 GHSR (0.54) ERAP2GHSRACEERAP1
SCHEMBL29576199 0.93 GHSR (0.54) ERAP2GHSRACEERAP1

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-4041748-A1 PEPTIDE COMPOUNDS FOR REDUCING SIDE EFFECTS OF CB1 RECEPTOR AGONISTS Universitat de Barcelona (ES) 2022-08-17 — — EP disclosed
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