SCHEMBL6936727

SCHEMBL6936727

COC(=O)[C@@H](Cc1ccccc1)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.57
ITGA4 P13612 1/20 0.56
ITGB7 P26010 1/20 0.56
CTSS P25774 4/20 0.55
CTSK P43235 3/20 0.55
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
POLB P06746 3/20 0.53
IDO1 P14902 1/20 0.53
ATM Q13315 2/20 0.52
AKT1 P31749 1/20 0.51
ACE P12821 1/20 0.50
PAX8 Q06710 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SYK P43405 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 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
SCHEMBL8497138 1.00 KLK5 (0.57) KLK5ITGA4ITGB7CTSSCTSK
SCHEMBL7452177 1.00 KLK5 (0.57) KLK5ITGA4ITGB7CTSSCTSK
SCHEMBL5926274 0.94 CTSS (0.57) KLK5ITGA4ITGB7CTSSCTSK
SCHEMBL27331529 0.88 CTSS (0.56) KLK5ITGA4ITGB7CTSSCTSK
SCHEMBL30841329 0.88 CTSK (0.57) KLK5ITGA4ITGB7CTSSCTSK
SCHEMBL27330377 0.88 CTSK (0.57) KLK5ITGA4ITGB7CTSSCTSK
SCHEMBL7283706 0.85 KLK5 (0.59) KLK5CTSSCTSKCTSLCTSB
SCHEMBL27330766 0.85 MMP1 (0.54) KLK5CTSSCTSKPOLBIDO1
SCHEMBL7455378 0.84 ITGA4 (0.45) KLK5ITGA4ITGB7CTSSCTSK
SCHEMBL6292728 0.84 KLK5 (0.72) KLK5CTSSCTSKCTSLCTSB

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
CN-1127488-C Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 2003-11-12 CN disclosed
EP-0907643-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
US-5919777-A PIPERAZINE DERIVATIVES USEFUL FOR TREATING MEDICAL DISORDERS RESULTING FROM A GROWTH HORMONE DEFIENCY NOVO NORDISK A/S (DK) 1999-07-06 US disclosed
CN-1216537-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1999-05-12 CN disclosed
EP-0907643-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-04-14 EP disclosed
WO-1997040023-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-10-30 WO disclosed