SCHEMBL8486572

SCHEMBL8486572

CCC=C(C)[C@H]1CC[C@@H](Oc2ncnc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
RAB9A P51151 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
IRAK4 Q9NWZ3 3/20 0.41
IRAK1 P51617 1/20 0.41
RXFP1 Q9HBX9 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
JAK3 P52333 2/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
KDR P35968 1/20 0.37

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
SCHEMBL8482284 0.81 L3MBTL1 (0.46) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL8482286 0.81 L3MBTL1 (0.46) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL8487015 0.73 IRAK4 (0.43) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL23707456 0.72 HRH1 (0.47) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL8369835 0.72 LMNA (0.40) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2797523 0.71 JAK3 (0.48) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL8487583 0.71 L3MBTL1 (0.44) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL17209403 0.70 IRAK4 (0.57) L3MBTL1CYP2C19IRAK4JAK3LMNA
SCHEMBL2631723 0.70 RAB9A (0.73) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9
SCHEMBL10058625 0.69 RAB9A (0.44) L3MBTL1RAB9ACYP2C19CYP1A2CYP2C9

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-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed
EP-0787128-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1997-08-06 EP disclosed
WO-1996011913-A1 SUBSTITUTED CYCLOALKYLAMINO AND CYCLOALKOXY HETEROCYCLES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-04-25 WO disclosed