SCHEMBL11948859

SCHEMBL11948859

CCN1CCc2ccccc2C1c1c(C)ccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.58
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
DRD2 P14416 2/20 0.38
DRD1 P21728 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL11948849 0.90 HDAC1 (0.49) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL11948851 0.88 PRCP (0.46) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL4402003 0.86 PRCP (0.56) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL11948854 0.83 PRCP (0.55) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL11948850 0.80 PRCP (0.42) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL14417385 0.78 PRCP (0.70) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL4399615 0.77 HDAC3 (0.51) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL4391630 0.75 HDAC8 (0.46) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL6369541 0.74 PRCP (1.00) PRCPHDAC8HDAC3HDAC1HDAC2
SCHEMBL16705702 0.74 PRCP (1.00) PRCPHDAC8HDAC3HDAC1HDAC2

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
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed