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SCHEMBL9630914

SCHEMBL9630914

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(=O)NC(=O)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.53
▸ NMUR1 Q9HB89 5/20 0.53
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 6/20 0.53
▸ NPY4R P50391 9/20 0.52
▸ NPY1R P25929 6/20 0.52
▸ NPY2R P49146 4/20 0.52
▸ NPY5R Q15761 4/20 0.52

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
SCHEMBL9631995 0.86 NPY4R (0.52) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9631336 0.86 NPY4R (0.51) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9727929 0.85 NMUR2 (0.51) NMUR2NMUR1OPRM1NPY4RNPY1R
SCHEMBL9852750 0.84 NPY4R (0.58) NMUR2NMUR1OPRM1NPY4RNPY1R
SCHEMBL10588690 0.83 NPY4R (0.61) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL29510980 0.82 NPY4R (0.55) NMUR2NMUR1OPRM1OPRK1NPY4R
Hydrochloric Acid SCHEMBL11665303 0.81 NMUR2 (0.58) NMUR2NMUR1OPRM1OPRK1NPY4R
SCHEMBL30634738 0.81 NMUR2 (0.56) NMUR2NMUR1OPRM1OPRK1NPY4R
SCHEMBL11884818 0.81 NMUR2 (0.61) NMUR2NMUR1OPRM1NPY4RNPY1R
SCHEMBL30064735 0.81 NPY4R (0.58) NMUR2NMUR1OPRM1OPRK1NPY4R

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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