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SCHEMBL9631336

SCHEMBL9631336

CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)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)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 14/20 0.51
▸ NPY1R P25929 9/20 0.51
▸ NPY5R Q15761 8/20 0.51
▸ NPY2R P49146 5/20 0.51
▸ NMUR2 Q9GZQ4 4/20 0.48
▸ NMUR1 Q9HB89 4/20 0.48

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 0.99 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL9630914 0.86 NMUR2 (0.53) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL9629967 0.85 NPY4R (0.44) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL9852750 0.84 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL10588690 0.84 NPY4R (0.61) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL9727929 0.82 NMUR2 (0.51) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL11884818 0.81 NMUR2 (0.61) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL11884805 0.81 NMUR2 (0.61) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL29510980 0.80 NPY4R (0.55) NPY4RNPY1RNPY5RNPY2RNMUR2
SCHEMBL30064735 0.80 NPY4R (0.58) NPY4RNPY1RNPY5RNPY2RNMUR2

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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