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Sugi Predict / Compounds / SCHEMBL9632114

SCHEMBL9632114

SCHEMBL9632114

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)CC(=O)N(C(=O)Cc1cccc2ccccc12)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.46
▸ NMUR1 Q9HB89 5/20 0.46
▸ NPY4R P50391 7/20 0.43
▸ NPY1R P25929 4/20 0.43
▸ NPY2R P49146 2/20 0.43
▸ NPY5R Q15761 2/20 0.43
▸ EPHA2 P29317 1/20 0.42
▸ OPRM1 P35372 5/20 0.41
▸ OPRK1 P41145 5/20 0.41
▸ KISS1R Q969F8 1/20 0.41

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
SCHEMBL9629967 0.87 NPY4R (0.44) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9843511 0.83 NMUR2 (0.46) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL29510980 0.81 NPY4R (0.55) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9630682 0.77 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1
SCHEMBL9852750 0.77 NPY4R (0.58) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL10586963 0.76 NMUR2 (0.57) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9629910 0.76 NMUR2 (0.63) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9629930 0.76 NMUR2 (0.56) NMUR2NMUR1EPHA2OPRM1
SCHEMBL10588690 0.76 NPY4R (0.61) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL22288705 0.76 KISS1R (0.57) KISS1R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 — — US disclosed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 — — EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 — — EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 — — EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 — — WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
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