SCHEMBL8720198

SCHEMBL8720198

CN(C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC(C)(C)C)[C@@H](CO)Cc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.44
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
OPRM1 P35372 3/20 0.39
MMP13 P45452 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL7659205 0.86 GHSR (0.43) GHSRCTSBCTSSCTSKMMP9
SCHEMBL6317705 0.85 GHSR (0.48) GHSRCTSBCTSSCTSKMMP9
SCHEMBL7286769 0.84 CTSB (0.49) GHSRCTSBCTSSCTSKMMP9
SCHEMBL1401196 0.84 CTSB (0.49) GHSRCTSBCTSSCTSKMMP9
SCHEMBL3266674 0.84 CTSB (0.49) GHSRCTSBCTSSCTSKMMP9
SCHEMBL29624575 0.84 CTSB (0.49) GHSRCTSBCTSSCTSKMMP9
SCHEMBL31407327 0.84 CTSB (0.49) GHSRCTSBCTSSCTSKMMP9
SCHEMBL7659094 0.84 GHSR (0.42) GHSRCTSBCTSSCTSKMMP9
SCHEMBL3266843 0.83 GHSR (0.47) GHSRCTSBCTSSCTSKMMP9
SCHEMBL6318655 0.83 GHSR (0.44) GHSRCTSBCTSSCTSKMMP9

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-0833845-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-04-08 EP disclosed
WO-1997000894-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-01-09 WO disclosed