SCHEMBL1077273

SCHEMBL1077273

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 13/20 0.67
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL936634 0.90 PRKD1 (0.69) PRKD1
SCHEMBL6924458 0.90 PRKD1 (0.62) PRKD1DRD2DRD4
SCHEMBL1056077 0.87 PRKD1 (0.76) PRKD1
SCHEMBL959852 0.86 PRKD1 (0.68) PRKD1
SCHEMBL6923808 0.82 PRKD1 (0.62) PRKD1
SCHEMBL1057491 0.81 PRKD1 (0.63) PRKD1
SCHEMBL967019 0.81 PRKD1 (1.00) PRKD1
SCHEMBL935732 0.79 PRKD1 (0.93) PRKD1
SCHEMBL6922501 0.79 PRKD1 (0.80) PRKD1
SCHEMBL936452 0.76 PRKD1 (0.74) 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