SCHEMBL19960689

SCHEMBL19960689

Cn1nccc1CN1CCc2ccccc2C1C(=N)N

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PRCP P42785 2/20 0.36
HDAC8 Q9BY41 8/20 0.36
HDAC3 O15379 6/20 0.36
HDAC1 Q13547 6/20 0.36
NCOR2 Q9Y618 6/20 0.36
HDAC2 Q92769 5/20 0.36

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
SCHEMBL19960809 0.89 PRMT5 (0.42) PRMT5WDR77HDAC8HDAC3HDAC1
SCHEMBL19960810 0.82 PRMT5 (0.43) PRMT5WDR77HDAC8HDAC3HDAC1
SCHEMBL11472266 0.65 GRIN1 (0.50) PRCPHDAC8HDAC3HDAC1NCOR2
SCHEMBL21400673 0.64 PRMT5 (0.67) PRMT5WDR77
SCHEMBL21236148 0.62 PRCP (0.50) PRMT5WDR77PRCPHDAC8HDAC3
SCHEMBL12489589 0.62 PRCP (0.50) PRMT5WDR77PRCPHDAC8HDAC3
SCHEMBL4239790 0.60 PRCP (0.60) PRCPHDAC8HDAC3HDAC1NCOR2
SCHEMBL15100399 0.60 PRCP (0.56) PRCPHDAC8HDAC3HDAC1NCOR2
SCHEMBL19960827 0.60 ANPEP (0.40)
SCHEMBL1077266 0.60 PPARG (0.49) HDAC8HDAC3HDAC1NCOR2HDAC2

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-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed