SCHEMBL30553847

SCHEMBL30553847

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.58
▸ KISS1R Q969F8 6/20 0.57
▸ NPY4R P50391 6/20 0.56
▸ NPY1R P25929 5/20 0.56
▸ NPY2R P49146 5/20 0.56
▸ NPY5R Q15761 5/20 0.56
▸ NMUR2 Q9GZQ4 3/20 0.56
▸ NMUR1 Q9HB89 3/20 0.56
▸ OPRM1 P35372 1/20 0.56
▸ OPRD1 P41143 1/20 0.56
▸ OPRK1 P41145 1/20 0.56

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
SCHEMBL30450082 0.94 TFPI (0.60) TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL29494169 0.92 KISS1R (0.60) TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL29746571 0.91 TFPI (0.60) TFPIKISS1RNMUR2NMUR1
SCHEMBL31141451 0.90 TFPI (0.65) TFPIKISS1RNPY4RNPY1RNPY5R
SCHEMBL31633287 0.90 TFPI (0.58) TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL30449457 0.90 TFPI (0.68) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL30413277 0.90 NPY4R (0.61) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31462036 0.89 NPY4R (0.55) NPY4RNPY1RNPY2RNPY5ROPRM1
SCHEMBL29746772 0.89 KISS1R (0.60) TFPIKISS1RNPY4RNPY1RNPY2R
SCHEMBL31141452 0.89 KISS1R (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284329-A Long-acting natriuretic peptide compound 成都奥达生物科技有限公司 2023-06-23 — — CN claimed
CN-116284329-B Long-acting natriuretic peptide compound 成都奥达生物科技有限公司 2023-12-08 — — CN disclosed
CN-116284329-A Long-acting natriuretic peptide compound 成都奥达生物科技有限公司 2023-06-23 — — CN disclosed
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