SCHEMBL24952005

SCHEMBL24952005

CC[C@@H]1CN(CC#N)CCO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 7/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ DRD3 P35462 3/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 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
SCHEMBL8498907 0.81 DRD4 (0.34) DRD4
SCHEMBL13887674 0.79 HRH3 (0.46) DRD4HRH3DRD3
SCHEMBL9801701 0.79 HRH3 (0.46) DRD4HRH3DRD3
SCHEMBL26820367 0.78 PDK1 (0.41) TLR8TLR7
SCHEMBL24951986 0.78 PDK1 (0.41) TLR8TLR7
SCHEMBL25743378 0.78 CACNA1H (0.34) DRD4
SCHEMBL25743432 0.78 CACNA1H (0.34) DRD4
Bromide SCHEMBL19439574 0.77 HRH3 (0.44) DRD4HRH3DRD3
SCHEMBL26510904 0.76 DRD4 (0.35) DRD4HRH3DRD3
SCHEMBL25565642 0.76 DRD3 (0.51) DRD4DRD3

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-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 — — WO disclosed
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