SCHEMBL30755201

SCHEMBL30755201

OCc1cccc(C2CCC(C(F)(F)F)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 8/20 0.44
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
KCNH2 Q12809 2/20 0.33
IDO1 P14902 2/20 0.33
ADORA2A P29274 1/20 0.33
CNR2 P34972 1/20 0.32
TDO2 P48775 1/20 0.32
HSD11B1 P28845 1/20 0.32
PDE8A O60658 1/20 0.32
IDH1 O75874 1/20 0.32
NOTUM Q6P988 1/20 0.31

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
SCHEMBL27372371 1.00 TRPV3 (0.44) TRPV3HTR1ADRD2DRD4KCNH2
SCHEMBL4125325 0.87 CCR1 (0.39) HTR1ADRD2IDO1ADORA2ACNR2
SCHEMBL30755185 0.85 TRPV3 (0.39) TRPV3HTR1ADRD2DRD4KCNH2
SCHEMBL27372375 0.85 TRPV3 (0.39) TRPV3HTR1ADRD2DRD4KCNH2
SCHEMBL9937973 0.80 CNR2 (0.42) HTR1ADRD2ADORA2ACNR2PDE8A
SCHEMBL9938125 0.80 CNR2 (0.45) TRPV3HTR1ADRD2ADORA2ACNR2
SCHEMBL20436513 0.77 TRPV3 (0.43) TRPV3HTR1ADRD2DRD4KCNH2
SCHEMBL23529956 0.76 MEN1 (0.40) CNR2
SCHEMBL29549767 0.76 MEN1 (0.40) CNR2
SCHEMBL23529970 0.72 DRD2 (0.42) HTR1ADRD2DRD4KCNH2

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-4562016-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed