SCHEMBL19620196

SCHEMBL19620196

N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](CCc1cccnc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 3/20 0.47
▸ GNRHR P30968 5/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ MME P08473 2/20 0.45
▸ ACE P12821 2/20 0.45
▸ CPA1 P15085 2/20 0.45
▸ ACE2 Q9BYF1 2/20 0.45
▸ CTSL P07711 3/20 0.44
▸ CTSB P07858 2/20 0.44
▸ MMP12 P39900 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ FCER2 P06734 2/20 0.43

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
SCHEMBL29647938 0.91 GNRHR (0.50) GPR132GNRHRMMEACECPA1
SCHEMBL30038541 0.87 GNRHR (0.50) GPR132GNRHRMMEACECPA1
SCHEMBL29390652 0.86 MME (0.49) GPR132GNRHRMMEACECPA1
SCHEMBL15344724 0.85 GPR132 (0.53) GPR132GNRHRMMEACECPA1
SCHEMBL29631784 0.84 KISS1R (0.46) GNRHRMMEACECPA1ACE2
SCHEMBL29575342 0.83 MME (0.61) MMEACECPA1ACE2OPRD1
SCHEMBL29576006 0.83 MME (0.61) MMEACECPA1ACE2OPRD1
SCHEMBL30552202 0.83 KISS1R (0.47) GNRHRMMEACECPA1ACE2
SCHEMBL15344075 0.83 GPR132 (0.53) GPR132MMEACECPA1ACE2
SCHEMBL29374168 0.83 GNRHR (0.49) GPR132GNRHRFCER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822146-B2 Process for the manufacture of degarelix and its intermediates FERRING B.V. (NL) 2017-11-21 — — US disclosed
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