SCHEMBL1001130

SCHEMBL1001130

C[C@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)[nH]n2)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 20/20 0.73
PRKD3 O94806 1/20 0.73
PRKD2 Q9BZL6 1/20 0.73

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
SCHEMBL1001131 1.00 PRKD1 (0.73) PRKD1PRKD3PRKD2
SCHEMBL936613 0.88 PRKD1 (0.74) PRKD1PRKD3PRKD2
SCHEMBL6924103 0.85 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936439 0.85 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936438 0.85 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL967019 0.84 PRKD1 (1.00) PRKD1PRKD3PRKD2
SCHEMBL936583 0.83 PRKD1 (0.60) PRKD1PRKD3PRKD2
SCHEMBL936584 0.83 PRKD1 (0.60) PRKD1PRKD3PRKD2
SCHEMBL935732 0.83 PRKD1 (0.93) PRKD1PRKD3PRKD2
SCHEMBL937158 0.83 PRKD1 (0.68) PRKD1PRKD3PRKD2

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