SCHEMBL30730401

SCHEMBL30730401

COC(=O)Cc1nc(C2CCOCC2)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
PDE4D Q08499 8/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
FPR2 P25090 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CNR2 P34972 1/20 0.37
F2 P00734 1/20 0.37
TGFBR1 P36897 1/20 0.36
HTT P42858 1/20 0.36
LRRK2 Q5S007 1/20 0.36
FAAH O00519 1/20 0.36
KCNH2 Q12809 1/20 0.35
ADORA2A P29274 1/20 0.35
KLKB1 P03952 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
SCHEMBL30730299 0.87 HTR1A (0.38) HTR1ADRD2DRD4PDE4DPDE4A
SCHEMBL27396457 0.81 CACNA1B (0.37) HTR1ADRD2DRD4PDE4DPDE4A
SCHEMBL27316765 0.74 CACNA1B (0.39) HTR1ADRD2DRD4IRAK4F2
SCHEMBL30730250 0.73 TRPV3 (0.38) IRAK4HTT
SCHEMBL30730392 0.73 PIK3CD (0.41) FPR2IRAK4
SCHEMBL27394813 0.72 LRRK2 (0.34) HTR1ADRD2DRD4F2LRRK2
SCHEMBL27314506 0.71 LRRK2 (0.34) HTR1ADRD2DRD4F2LRRK2
SCHEMBL18512298 0.71 ALDH1A1 (0.43) PDE4D
SCHEMBL27938280 0.68 KDM4E (0.42) PDE4DPDE4APDE4BPDE4CHTT
SCHEMBL30730264 0.68 TRPV3 (0.40) HTR1ADRD2DRD4CNR2KCNH2

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-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed