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SCHEMBL11286119

SCHEMBL11286119

CCC(C)C(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 14/20 0.58
▸ OPRD1 P41143 3/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ CCKBR P32239 3/20 0.56
▸ CCKAR P32238 1/20 0.56
▸ IL1RN P18510 1/20 0.54
▸ ERAP2 Q6P179 1/20 0.54

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
SCHEMBL11286127 1.00 KISS1R (0.58) KISS1ROPRD1OPRM1CCKBRCCKAR
SCHEMBL30906491 0.85 GLP1R (0.59) KISS1R
SCHEMBL30512689 0.84 KISS1R (0.60) KISS1R
SCHEMBL30307612 0.84 OPRM1 (0.67) KISS1ROPRD1OPRM1CCKBRCCKAR
SCHEMBL30349481 0.83 ERAP2 (0.65) KISS1ROPRD1CCKBRCCKARIL1RN
SCHEMBL30542889 0.83 CCKBR (0.61) OPRD1OPRM1CCKBRCCKARIL1RN
SCHEMBL11659149 0.83 CCKBR (0.68) KISS1ROPRD1OPRM1CCKBR
SCHEMBL11666813 0.83 CCKBR (0.68) KISS1ROPRD1OPRM1CCKBR
SCHEMBL30051762 0.82 ACE (0.56) OPRD1OPRM1
SCHEMBL31462103 0.82 GLP1R (0.58) KISS1RERAP2

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-4351828-A N-Substituted cyclopeptide derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 — — US disclosed
US-4237045-A N-substituted cyclopeptide derivatives and preparation thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1980-12-02 — — US disclosed
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