SCHEMBL29813882

SCHEMBL29813882

CC(C)C[C@H](NC(=O)[C@H](N)COC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 10/20 0.44
▸ OPRM1 P35372 6/20 0.44
▸ NPY4R P50391 7/20 0.42
▸ NPY1R P25929 4/20 0.42
▸ NPY2R P49146 2/20 0.42
▸ NPY5R Q15761 2/20 0.42
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ NMUR2 Q9GZQ4 1/20 0.40
▸ NMUR1 Q9HB89 1/20 0.40

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
SCHEMBL31481586 0.90 OPRK1 (0.47) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL11101528 0.88 OPRK1 (0.48) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL11101521 0.88 OPRK1 (0.48) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL11644393 0.88 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL9616907 0.88 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL9616909 0.88 OPRK1 (0.43) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL29510980 0.86 NPY4R (0.55) OPRK1OPRM1NPY4RNPY1RNPY2R
SCHEMBL30118984 0.84 OPRK1 (0.47) OPRK1OPRM1
SCHEMBL29607765 0.83 OPRK1 (0.55) OPRK1OPRM1
SCHEMBL31467772 0.83 EPHA2 (0.41) OPRK1OPRM1NPY4RNPY1RNPY2R

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
EP-4719606-A2 GCN2 AND PERK KINASE MODULATORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-08 — — EP disclosed
WO-2024249493-A2 GCN2 AND PERK KINASE MODULATORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2024-12-05 — — WO disclosed
WO-2022115443-A1 MITOCHONDRIA TARGETING QUINOLINIUM-DRUG CONJUGATES AND THEIR SELF-ASSEMBLING NANOFORMULATIONS FOR CANCER THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-02 — — WO disclosed
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