SCHEMBL6923037

SCHEMBL6923037

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

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 15/20 0.70
ERN1 O75460 3/20 0.54
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL936452 0.87 PRKD1 (0.74) PRKD1ERN1ADORA3ADORA2AADORA2B
SCHEMBL936255 0.86 PRKD1 (0.73) PRKD1ERN1ADORA3ADORA2AADORA2B
SCHEMBL935612 0.85 PRKD1 (0.52) PRKD1ERN1BCHEACHE
SCHEMBL6922501 0.84 PRKD1 (0.80) PRKD1ERN1ADORA3ADORA2AADORA2B
SCHEMBL960488 0.82 PRKD1 (0.70) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1079502 0.82 PRKD1 (0.70) PRKD1ERN1ADORA3ADORA2AADORA2B
SCHEMBL1053391 0.82 PRKD1 (0.70) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL937410 0.80 PRKD1 (0.81) PRKD1ADORA3ADORA2AADORA2BADORA1
SCHEMBL6923806 0.80 PRKD1 (0.81) PRKD1ERN1ADORA3ADORA2AADORA2B
SCHEMBL6924052 0.80 PRKD1 (0.69) PRKD1ERN1ADORA3ADORA2AADORA2B

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