SCHEMBL7702779

SCHEMBL7702779

Cn1nc(C2c3ccccc3CCN2C=CC=O)cc1CN1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BCHE P06276 6/20 0.33
MAPK1 P28482 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP2A13 Q16696 1/20 0.32
GAA P10253 1/20 0.32
ERN1 O75460 1/20 0.32
PRCP P42785 1/20 0.32
MOK Q9UQ07 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL7699773 0.92 PRCP (0.33) L3MBTL1ERN1PRCP
SCHEMBL7699898 0.84 BCHE (0.34) LMNAMAPTL3MBTL1TSHRKDM4E
SCHEMBL7705571 0.82 ALDH1A1 (0.35) LMNAMAPTL3MBTL1TSHRKDM4E
SCHEMBL7697817 0.82 CYP2A13 (0.34) LMNAMAPTL3MBTL1TSHRKDM4E
SCHEMBL8511447 0.76 TSHR (0.36) LMNAMAPTL3MBTL1TSHRKDM4E
SCHEMBL7702359 0.75 OPRM1 (0.41) LMNAMAPTL3MBTL1TSHRKDM4E
SCHEMBL7702361 0.75 OPRM1 (0.41) LMNAMAPTL3MBTL1TSHRKDM4E
SCHEMBL7702491 0.74 SMN1; SMN2 (0.38) LMNAMAPTTSHRKDM4EALDH1A1
SCHEMBL7706720 0.72 PRCP (0.38) LMNAL3MBTL1TSHRKDM4EALDH1A1
SCHEMBL7702365 0.72

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