SCHEMBL3266809

SCHEMBL3266809

CN(C(=O)OC(C)(C)C)[C@H](Cc1cccs1)C(=O)N(C)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
CYP2C19 P33261 1/20 0.40
RIPK1 Q13546 1/20 0.39
CTSC P53634 2/20 0.37
GHSR Q92847 3/20 0.37
RAB9A P51151 2/20 0.37
MMP13 P45452 1/20 0.36
ADAM17 P78536 3/20 0.36
GBA1 P04062 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL3274994 0.87 GHSR (0.51) CTSKCTSSCTSCGHSR
SCHEMBL1401241 0.86 CYP2C19 (0.50) CTSKCTSSCYP2C19RIPK1CTSC
SCHEMBL6317809 0.83 CTSK (0.47) CTSKCTSSCYP2C19RIPK1CTSC
SCHEMBL3266943 0.82 CTSK (0.47) CTSKCTSSCYP2C19RIPK1CTSC
SCHEMBL3267790 0.82 CTSS (0.38) CTSKCTSSCYP2C19RIPK1CTSC
SCHEMBL3268338 0.80 REN (0.44) CTSKCTSSMMP13
SCHEMBL6318786 0.79 CTSK (0.45) CTSKCTSSCYP2C19RIPK1CTSC
SCHEMBL6319015 0.76 CTSK (0.45) CTSKCTSSCYP2C19RIPK1CTSC
SCHEMBL6316639 0.76 CTSK (0.41) CTSKCTSSCYP2C19RIPK1CTSC
SCHEMBL8190649 0.75 GHSR (0.51) CTSKCTSSCTSCGHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506969-B1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS US INC (US) 2010-06-09 EP disclosed
EP-1506969-A1 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-02-16 EP disclosed
EP-1047709-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-11-03 EP disclosed
WO-1999036431-A9 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2000-07-27 WO disclosed
US-6083908-A TREATING MEDICAL DISORDERS RESULTING FROM DEFICIENCY IN GROWTH HORMONE NOVO NORDISK A/S (DK) 2000-07-04 US disclosed