SCHEMBL19954823

SCHEMBL19954823

CCCCC(C)(C)c1cccc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.61
▸ CNR1 P21554 10/20 0.61
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ KIF11 P52732 2/20 0.41
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37

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
SCHEMBL19040922 0.90 CNR2 (0.53) CNR2CNR1DRD2DRD3KIF11
SCHEMBL18559631 0.87 CNR2 (0.54) CNR2CNR1DRD2DRD3KIF11
SCHEMBL3435209 0.83 CNR2 (0.46) CNR2CNR1DRD2DRD3KIF11
SCHEMBL18879528 0.82 CNR1 (0.49) CNR2CNR1KIF11
SCHEMBL4698316 0.78 CNR2 (0.45) CNR2CNR1KIF11
SCHEMBL23026418 0.75 KIF11 (0.44) CNR2CNR1KIF11
SCHEMBL4698814 0.75 KIF11 (0.42) CNR2CNR1KIF11
SCHEMBL22432052 0.75 KIF11 (0.46) CNR2CNR1DRD2KIF11
SCHEMBL10279769 0.75 CNR2 (0.46) CNR2CNR1DRD2DRD3KIF11
SCHEMBL179266 0.75 KIF11 (0.50) KIF11CTSSCTSK

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
US-9913843-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 — — US disclosed
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