SCHEMBL21676546

SCHEMBL21676546

CC(=O)N[C@H](Cc1ccc(C#N)cc1)CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.52
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CD274 Q9NZQ7 1/20 0.45
CTSC P53634 1/20 0.44
KCNH2 Q12809 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
CYP2D6 P10635 1/20 0.42
DPP4 P27487 2/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
PKM P14618 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
SCHEMBL21144716 0.89 ALDH1A1 (0.46) ACACBKDM4EALDH1A1CD274CTSC
SCHEMBL21144718 0.89 ALDH1A1 (0.46) ACACBKDM4EALDH1A1CD274CTSC
SCHEMBL18930237 0.85 KDM4E (0.43) ACACBKDM4EALDH1A1CD274CTSC
SCHEMBL13267195 0.84 ALDH1A1 (0.50) ACACBALDH1A1
SCHEMBL21144737 0.78 CD274 (0.49) ACACBKDM4EALDH1A1CD274CTSC
SCHEMBL21144738 0.78 CD274 (0.49) ACACBKDM4EALDH1A1CD274CTSC
SCHEMBL21144956 0.78 FPR1 (0.45) ACACBCTSCKCNH2CYP2D6DPP4
SCHEMBL21144957 0.78 FPR1 (0.45) ACACBCTSCKCNH2CYP2D6DPP4
SCHEMBL21144878 0.78 SLC1A2 (0.45) ACACBALDH1A1KCNH2
SCHEMBL21144875 0.78 SLC1A2 (0.45) ACACBALDH1A1KCNH2

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