SCHEMBL21676604

SCHEMBL21676604

CC1CN(C)CCN1CC[C@@H](Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
ATM Q13315 1/20 0.40
CTSS P25774 7/20 0.40
CTSK P43235 6/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
DRD2 P14416 1/20 0.39
APP P05067 3/20 0.38
P2RX7 Q99572 1/20 0.38
PTPN1 P18031 1/20 0.37
ACACB O00763 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL18930526 1.00 CACNA1B (0.41) CACNA1BGPR119ATMCTSSCTSK
SCHEMBL21169944 1.00 CACNA1B (0.41) CACNA1BGPR119ATMCTSSCTSK
SCHEMBL21144653 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL21144867 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL21144654 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL21144866 0.86 SLC1A2 (0.39) CACNA1BACACBHRH3
SCHEMBL18930771 0.85 ATM (0.43) ATMCTSSCTSKCTSLCTSB
SCHEMBL21144689 0.82 ATM (0.40) GPR119ATMCTSSCTSKCTSL
SCHEMBL21144891 0.82 ATM (0.40) GPR119ATMCTSSCTSKCTSL
SCHEMBL21144687 0.82 ATM (0.40) GPR119ATMCTSSCTSKCTSL

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