SCHEMBL29457312

SCHEMBL29457312

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 7/20 0.50
▸ NPY4R P50391 7/20 0.49
▸ NPY1R P25929 5/20 0.49
▸ NPY2R P49146 3/20 0.49
▸ NPY5R Q15761 2/20 0.49
▸ BACE1 P56817 2/20 0.48
▸ BACE2 Q9Y5Z0 1/20 0.48
▸ IL1RN P18510 1/20 0.47
▸ ERAP2 Q6P179 1/20 0.47

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
SCHEMBL30558097 0.95 KISS1R (0.52) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29897578 0.94 KISS1R (0.54) KISS1R
SCHEMBL29531210 0.93 NPY4R (0.55) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29403649 0.93 NPY4R (0.55) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29530897 0.93 NPY4R (0.55) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29531366 0.93 NPY4R (0.55) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL30184346 0.92 NPY4R (0.56) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29530953 0.91 NPY4R (0.57) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29531203 0.91 NPY4R (0.57) KISS1RNPY4RNPY1RNPY2RNPY5R
SCHEMBL4208913 0.90 BACE1 (0.59) KISS1RNPY4RNPY1RNPY2RNPY5R

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
US-20220090160-A1 COMPOSITION FOR CONVERTING INSULIN PRECURSOR INTO INSULIN ENZYME AND METHOD FOR CONVERTING INSULIN PRECURSOR INTO INSULIN BY USING SAME POLUS INC (KR) 2022-03-24 — — US disclosed
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