SCHEMBL31084522

SCHEMBL31084522

CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.59
▸ OPRM1 P35372 2/20 0.59
▸ KISS1R Q969F8 3/20 0.57
▸ ERAP2 Q6P179 2/20 0.55
▸ IL1RN P18510 1/20 0.55
▸ BACE1 P56817 1/20 0.53
▸ BACE2 Q9Y5Z0 1/20 0.53
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ CCKAR P32238 1/20 0.52
▸ CCKBR P32239 1/20 0.52

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
SCHEMBL30901198 0.91 OPRM1 (0.61) OPRD1OPRM1KISS1RERAP2IL1RN
SCHEMBL31230554 0.90 BACE1 (0.57) OPRD1OPRM1ERAP2BACE1BACE2
SCHEMBL30202334 0.89 ERAP2 (0.60) OPRD1OPRM1ERAP2IL1RNNPY1R
SCHEMBL29406957 0.89 ERAP2 (0.60) OPRD1OPRM1ERAP2IL1RN
SCHEMBL31239701 0.88 KISS1R (0.53) OPRD1OPRM1KISS1RERAP2IL1RN
SCHEMBL31483387 0.88 ERAP2 (0.62) OPRD1OPRM1ERAP2IL1RNNPY1R
SCHEMBL30053206 0.88 ACE (0.61) OPRD1OPRM1
SCHEMBL31388720 0.88 ERAP2 (0.64) KISS1RERAP2IL1RNBACE1BACE2
SCHEMBL29362220 0.87 OPRM1 (0.59) OPRD1OPRM1ERAP2IL1RNNPY1R
SCHEMBL31303469 0.87 ERAP2 (0.61) OPRD1OPRM1ERAP2IL1RNNPY1R

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-20250008961-A1 PAENIBACILLUS STRAINS PRODUCING LOW AMOUNTS OF DAB COMPRISING COMPOUNDS BASF SE (DE) 2025-01-09 — — US disclosed
EP-4436387-A1 PAENIBACILLUS STRAINS PRODUCING LOW AMOUNTS OF DAB COMPRISING COMPOUNDS BASF SE (DE) 2024-10-02 — — EP disclosed
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