SCHEMBL8596643

SCHEMBL8596643

CCc1ncnc(NC2CCC(c3ccccc3)CC2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
USP2 O75604 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
PRCP P42785 1/20 0.40
NSD2 O96028 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MAPT P10636 2/20 0.37
ADORA3 P0DMS8 3/20 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
SCHEMBL8596645 1.00 LMNA (0.40) LMNAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8693147 0.85 PRCP (0.41) LMNAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8693150 0.85 PRCP (0.41) LMNAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8490628 0.83 PRCP (0.46) PRCPIRAK4ADORA3ADORA2AADORA2B
SCHEMBL8597662 0.83 PRCP (0.41) LMNAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8597660 0.83 PRCP (0.41) LMNAUSP2CYP1A2CYP3A4CYP2D6
SCHEMBL8490623 0.83 PRCP (0.46) PRCPIRAK4ADORA3ADORA2AADORA2B
SCHEMBL8705766 0.81 HTR1A (0.38) PRCPNSD2ALDH1A1HTR1AADRA1D
SCHEMBL8595512 0.81 PRCP (0.40) CYP1A2CYP3A4CYP2D6PRCPIRAK4
SCHEMBL8595511 0.81 PRCP (0.40) CYP1A2CYP3A4CYP2D6PRCPIRAK4

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
US-5852023-A Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-12-22 US disclosed
EP-0817774-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1998-01-14 EP disclosed
WO-1996030345-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-10-03 WO disclosed