SCHEMBL7705576

SCHEMBL7705576

O=CC=CN1CCc2ccccc2C1c1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.41
HDAC8 Q9BY41 7/20 0.40
CHRM3 P20309 1/20 0.40
HDAC1 Q13547 6/20 0.39
HDAC3 O15379 5/20 0.39
NCOR2 Q9Y618 5/20 0.39
HDAC2 Q92769 4/20 0.39
HHAT Q5VTY9 3/20 0.39
CYP2D6 P10635 1/20 0.38
TRPM8 Q7Z2W7 2/20 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
SCHEMBL7701133 0.86 PRCP (0.54) PRCPHDAC8CHRM3HDAC1HDAC3
SCHEMBL7704956 0.84 CHRM3 (0.47) PRCPHDAC8CHRM3HDAC1HDAC3
SCHEMBL7702539 0.84 PRCP (0.46) PRCPHDAC8CHRM3HDAC1HDAC3
SCHEMBL7705562 0.83 PRCP (0.42) PRCPHDAC8CHRM3HDAC1HDAC3
SCHEMBL7698116 0.81 TRPM8 (0.45) PRCPHDAC8HDAC1HDAC3NCOR2
SCHEMBL7697965 0.81 PRCP (0.43) PRCPHDAC8CHRM3HDAC1HDAC3
SCHEMBL7699278 0.81 HDAC1 (0.51) PRCPHDAC8HDAC1HDAC3NCOR2
SCHEMBL7697839 0.81 PRCP (0.43) PRCPHDAC8CHRM3HDAC1HDAC3
SCHEMBL7705610 0.81 TRPM8 (0.53) HDAC8HDAC1HDAC3NCOR2TRPM8
SCHEMBL7699731 0.80 PRCP (0.42) PRCPCHRM3HHATCYP2D6TRPM8

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 3 patents. 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
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed