SCHEMBL28159652

SCHEMBL28159652

[CH2]N1CCC(=CC#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 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
SCHEMBL17029518 0.76 DRD3 (0.35) DRD3
SCHEMBL124039 0.76 DRD3 (0.39) DRD3
SCHEMBL10881206 0.76 DRD3 (0.43) DRD3
SCHEMBL14808997 0.71 DRD3 (0.36) DRD3
SCHEMBL30990313 0.71 DRD3 (0.43) DRD3
SCHEMBL31719552 0.71 DRD3 (0.40) DRD3
SCHEMBL871135 0.71
SCHEMBL102170 0.70 GRM5 (0.35) DRD3
SCHEMBL4934409 0.69
SCHEMBL31512525 0.69 DRD3 (0.39) DRD3

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
CN-105189498-B Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors 默沙东公司 2017-06-27 CN disclosed