SCHEMBL9852750

SCHEMBL9852750

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.58
▸ NPY1R P25929 7/20 0.58
▸ NPY2R P49146 5/20 0.58
▸ NPY5R Q15761 5/20 0.58
▸ NMUR2 Q9GZQ4 5/20 0.55
▸ NMUR1 Q9HB89 5/20 0.55
▸ EPHA2 P29317 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ KISS1R Q969F8 1/20 0.51

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
SCHEMBL10588690 0.97 NPY4R (0.61) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL5499951 0.87 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL30293724 0.86 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5RNMUR2
Hydrochloric Acid SCHEMBL11665303 0.86 NMUR2 (0.58) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL29972993 0.85 NMUR2 (0.60) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL9630682 0.85 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1
SCHEMBL9632015 0.85 EPHA2 (0.56) NMUR2NMUR1EPHA2OPRM1
SCHEMBL11884818 0.85 NMUR2 (0.61) NPY4RNPY1RNPY2RNPY5RNMUR2
SCHEMBL8808113 0.85 NMUR2 (0.70) NMUR2NMUR1OPRM1KISS1R
SCHEMBL30064735 0.85 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RNMUR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 — — EP disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
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