SCHEMBL30350026

SCHEMBL30350026

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 9/20 0.56
▸ NPY4R P50391 4/20 0.56
▸ NPY1R P25929 3/20 0.56
▸ NPY2R P49146 3/20 0.56
▸ BACE1 P56817 3/20 0.52
▸ OPRM1 P35372 3/20 0.52
▸ OPRD1 P41143 3/20 0.52
▸ OPRK1 P41145 2/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.52
▸ NPY5R Q15761 2/20 0.52
▸ TFPI P10646 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
SCHEMBL31000915 0.90 BACE1 (0.59) KISS1RBACE1BACE2TFPI
SCHEMBL30974094 0.90 KISS1R (0.53) KISS1RNPY4RNPY1RNPY2RBACE1
SCHEMBL30726528 0.89 BACE1 (0.56) KISS1RBACE1BACE2TFPI
SCHEMBL31319513 0.89 TFPI (0.59) OPRM1OPRD1OPRK1TFPI
SCHEMBL30320569 0.88 BACE1 (0.58) KISS1RBACE1OPRM1OPRD1OPRK1
SCHEMBL29796774 0.88 KISS1R (0.53) KISS1RBACE1OPRM1OPRD1OPRK1
SCHEMBL30880909 0.88 KISS1R (0.60) KISS1ROPRM1OPRD1OPRK1
SCHEMBL29430948 0.87 KISS1R (0.61) KISS1RNPY4RNPY1RNPY2RBACE1
SCHEMBL29385779 0.87 NPY4R (0.61) KISS1RNPY4RNPY1RNPY2RBACE1
SCHEMBL29520890 0.86 BACE1 (0.57) KISS1RNPY4RNPY1RNPY2RBACE1

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
CN-115925960-A Antibody or antigen binding fragment capable of being specifically bound with creatine kinase isoenzyme and application thereof 杭州傲锐生物医药科技有限公司 2023-04-07 — — CN disclosed
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