SCHEMBL30450082

SCHEMBL30450082

CC(C)C[C@H](NC(=O)CN)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 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.60
▸ NMUR2 Q9GZQ4 4/20 0.56
▸ NMUR1 Q9HB89 4/20 0.56
▸ NPY4R P50391 7/20 0.56
▸ NPY5R Q15761 6/20 0.56
▸ NPY1R P25929 5/20 0.56
▸ NPY2R P49146 3/20 0.56
▸ KISS1R Q969F8 4/20 0.55
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL30449457 0.95 TFPI (0.68) TFPINMUR2NMUR1NPY4RNPY5R
SCHEMBL30553847 0.94 TFPI (0.58) TFPINMUR2NMUR1NPY4RNPY5R
SCHEMBL30880895 0.91 OPRM1 (0.60) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL29746571 0.90 TFPI (0.60) TFPINMUR2NMUR1KISS1R
SCHEMBL31462100 0.89 QRFPR (0.57) TFPINMUR2NMUR1NPY4RNPY5R
SCHEMBL29939684 0.89 TFPI (0.57) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL30413277 0.89 NPY4R (0.61) TFPINPY4RNPY5RNPY1RNPY2R
SCHEMBL31141451 0.89 TFPI (0.65) TFPINPY4RNPY5RNPY1RKISS1R
SCHEMBL31462067 0.88 QRFPR (0.58) TFPINMUR2NMUR1NPY4RNPY5R
SCHEMBL29805234 0.88 QRFPR (0.58) TFPINMUR2NMUR1NPY4RNPY5R

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
WO-2023099725-A1 PHARMACEUTICAL PREPARATION CONTAINING A MIXTURE OF A NATRIURETIC PEPTIDE (ANP) AND A PEPTIDIC INHIBITOR OF THE CXCR4 RECEPTOR PHARIS BIOTEC GMBH (DE) 2023-06-08 — — WO disclosed
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