SCHEMBL7705571

SCHEMBL7705571

Cn1cc(CN2CCOCC2)c(C2c3ccccc3CCN2C=CC=O)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP2A13 Q16696 4/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32
PRCP P42785 1/20 0.32
BRD4 O60885 1/20 0.31
BCHE P06276 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7697817 0.82 CYP2A13 (0.34) ALDH1A1CYP2A13LMNAMAPTL3MBTL1
SCHEMBL7702779 0.82 LMNA (0.35) ALDH1A1CYP2A13LMNAMAPTL3MBTL1
SCHEMBL7699898 0.80 BCHE (0.34) ALDH1A1LMNAMAPTL3MBTL1TSHR
SCHEMBL8510483 0.76 CYP2A13 (0.40) ALDH1A1CYP2A13LMNAMAPTL3MBTL1
SCHEMBL7702411 0.75 OPRM1 (0.41) ALDH1A1CYP2A13LMNATSHRPOLB
SCHEMBL7702406 0.75 OPRM1 (0.41) ALDH1A1CYP2A13LMNATSHRPOLB
SCHEMBL7699773 0.73 PRCP (0.33) L3MBTL1PRCP
SCHEMBL7703737 0.73 PRCP (0.36) PRCPSMN1; SMN2
SCHEMBL7701133 0.68 PRCP (0.54) PRCP
SCHEMBL7706788 0.68 CD44 (0.40) L3MBTL1PRCP

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