SCHEMBL28224254

SCHEMBL28224254

C[C](C)CN1CCO[C@H](CC#N)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 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
SCHEMBL28223618 1.00 DRD4 (0.31) DRD4
SCHEMBL28153145 0.80 PDK1 (0.46) DRD4
SCHEMBL27687247 0.80 PDK1 (0.46) DRD4
SCHEMBL27687249 0.80 PDK1 (0.46) DRD4
SCHEMBL28151920 0.78 CHEK1 (0.33) DRD4
SCHEMBL28151915 0.78 CHEK1 (0.33) DRD4
SCHEMBL28182086 0.78 DRD4 (0.33) DRD4
SCHEMBL28072207 0.78 CHEK1 (0.33) DRD4
SCHEMBL28224306 0.75 DRD2 (0.39) DRD4
SCHEMBL28224304 0.75 DRD2 (0.39) DRD4

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-108137541-A For being used as the pyridone diformamide of bromine structural domain inhibitor 葛兰素史克知识产权第二有限公司 2018-06-08 — — CN disclosed
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