SCHEMBL6163662

SCHEMBL6163662

CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.61
CTSK P43235 2/20 0.61
ACE P12821 5/20 0.50
MME P08473 2/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
CYP3A4 P08684 5/20 0.47
SCN9A Q15858 1/20 0.46
MMP9 P14780 2/20 0.44
PTPN1 P18031 1/20 0.44
CTSL P07711 1/20 0.44
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 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
SCHEMBL6163670 1.00 CTSS (0.61) CTSSCTSKACEMMECPA1
SCHEMBL4600435 0.88 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL613640 0.88 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL4122289 0.88 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL29401990 0.88 CTSS (0.76) CTSSCTSKACEMMECPA1
SCHEMBL17137921 0.84 CTSS (0.77) CTSSCTSKACEMMECPA1
SCHEMBL17137918 0.84 CTSS (0.77) CTSSCTSKACEMMECPA1
SCHEMBL5253098 0.84 ACE (0.70) CTSSCTSKACESCN9ACTSL
SCHEMBL5253093 0.84 ACE (0.70) CTSSCTSKACESCN9ACTSL
SCHEMBL10174744 0.84 ACE (0.70) CTSSCTSKACESCN9ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO disclosed