SCHEMBL6560404

SCHEMBL6560404

C[C@H](NC(=O)OCc1ccccc1)C(O)c1nc2ncccc2o1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
FAAH O00519 3/20 0.44
DAGLA Q9Y4D2 3/20 0.43
ELANE P08246 2/20 0.43
TACR1 P25103 1/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL7731860 0.85 FAAH (0.46) ATMFAAHDAGLAELANETACR1
SCHEMBL6560715 0.85 ATM (0.56) ATMELANETACR1CTSLCTSS
SCHEMBL6560421 0.82 ATM (0.52) ATMELANETACR1CTSLCTSS
SCHEMBL5947645 0.81 NPC1 (0.41) ATMFAAH
SCHEMBL5947648 0.81 NPC1 (0.41) ATMFAAH
SCHEMBL16492787 0.79 ATM (0.54) ATMELANECTSLCTSSCTSB
SCHEMBL6558452 0.79 ATM (0.51) ATMCTSLCTSS
SCHEMBL6560431 0.79 ATM (0.51) ATMTACR1CTSLCTSS
SCHEMBL8425338 0.78 ATM (0.50) ATMELANETACR1
SCHEMBL6560698 0.76 ATM (0.52) ATMTACR1CTSLCTSS

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-0948523-B1 PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-03-17 EP disclosed
US-6291640-B1 OLIGOPEPTIDES; SOLID PHASE SYNTHESIS BOEHRINGER INGELHEIM LTD. (CA) 2001-09-18 US disclosed