SCHEMBL21676602

SCHEMBL21676602

CC(C)CN(C)CCNCC[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
CTSS P25774 9/20 0.39
CTSK P43235 8/20 0.39
CTSB P07858 2/20 0.38
CTSL P07711 1/20 0.38
APP P05067 3/20 0.37
PTPN1 P18031 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL21676541 0.84 ATM (0.48) ATMAAK1CTSSCTSKCTSB
SCHEMBL18930774 0.81 ATM (0.46) ATMAAK1CTSSCTSKCTSB
SCHEMBL18930601 0.80 ATM (0.48) ATMAAK1CTSSCTSKCTSB
SCHEMBL18930760 0.79 ATM (0.49) ATMAAK1CTSSCTSKCTSB
SCHEMBL21170221 0.77 DRD2 (0.43) ATMCTSSCTSKCTSBCTSL
SCHEMBL18930771 0.77 ATM (0.43) ATMCTSSCTSKCTSBCTSL
SCHEMBL18930490 0.76 ATM (0.51) ATMAAK1CTSSCTSKCTSB
SCHEMBL2617251 0.76 ATM (0.51) ATMAAK1CTSSCTSKCTSB
SCHEMBL21676601 0.76 ATM (0.44) ATMCTSSCTSKCTSBCTSL
SCHEMBL18930494 0.76 ATM (0.46) ATMAAK1CTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed