SCHEMBL24640238

SCHEMBL24640238

CC(C)N1CCN2c3ncc(C#N)cc3SCC2C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 5/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
SGPL1 O95470 1/20 0.32

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
SCHEMBL24640236 0.82 HRH3 (0.32) HRH3
SCHEMBL24640240 0.80 HRH3 (0.36) DRD3HRH3
SCHEMBL24640200 0.80 HRH3 (0.36) DRD3HRH3
SCHEMBL24640235 0.80 HRH3 (0.33) HRH3HRH4
SCHEMBL24640697 0.79 HRH3 (0.31) HRH3
SCHEMBL24640710 0.78 DRD2 (0.34) DRD2DRD3HRH3IRAK4HRH4
SCHEMBL24640706 0.78 DRD2 (0.34) DRD2DRD3HRH3IRAK4HRH4
SCHEMBL31244797 0.77 HTR2A (0.41)
SCHEMBL24639978 0.76 DRD2 (0.33) DRD2DRD3HRH3IRAK4HRH4
SCHEMBL24639979 0.76 DRD2 (0.33) DRD2DRD3HRH3IRAK4HRH4

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
WO-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed