SCHEMBL936634

SCHEMBL936634

CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CN4CCC(N)CC4)cc3)[nH]n2)c1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 17/20 0.69
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL1056077 0.90 PRKD1 (0.76) PRKD1
SCHEMBL1077273 0.90 PRKD1 (0.67) PRKD1
SCHEMBL959852 0.89 PRKD1 (0.68) PRKD1
SCHEMBL6924458 0.86 PRKD1 (0.62) PRKD1
SCHEMBL6923808 0.84 PRKD1 (0.62) PRKD1BCHEACHE
SCHEMBL1057491 0.83 PRKD1 (0.63) PRKD1BCHEACHE
SCHEMBL6922501 0.82 PRKD1 (0.80) PRKD1BCHEACHE
SCHEMBL967019 0.81 PRKD1 (1.00) PRKD1
SCHEMBL935732 0.80 PRKD1 (0.93) PRKD1
SCHEMBL962069 0.79 PRKD1 (0.66) PRKD1

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-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed