SCHEMBL7702900

SCHEMBL7702900

Cn1nc(CCO)cc1C1c2ccccc2CCN1C=CC=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HDAC8 Q9BY41 4/20 0.32
HHAT Q5VTY9 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
NCOR2 Q9Y618 3/20 0.32
CYP2D6 P10635 1/20 0.32
DRD1 P21728 1/20 0.31

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
SCHEMBL7703165 0.92 PRCP (0.35) PRCPHTTL3MBTL1HDAC8HHAT
SCHEMBL7706720 0.83 PRCP (0.38) PRCPHTTL3MBTL1DRD1
SCHEMBL7699898 0.83 BCHE (0.34) PRCPHTTL3MBTL1
SCHEMBL8584880 0.78 PRCP (0.39) PRCPHTTL3MBTL1HDAC8HDAC3
SCHEMBL8611806 0.72 HHAT (0.39) PRCPHTTL3MBTL1HDAC8HHAT
SCHEMBL7699773 0.72 PRCP (0.33) PRCPHTTL3MBTL1DRD1
SCHEMBL7705576 0.71 PRCP (0.41) PRCPHDAC8HHATHDAC3HDAC1
SCHEMBL7699747 0.71 PRCP (0.46) PRCPDRD1
SCHEMBL7701133 0.71 PRCP (0.54) PRCPHDAC8HHATHDAC3HDAC1
SCHEMBL7700053 0.70 TRPM8 (0.35) PRCPHDAC8HHATHDAC3HDAC1

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
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed