SCHEMBL7702933

SCHEMBL7702933

O=CC=CN1CCc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NOTUM Q6P988 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TMPRSS2 O15393 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39
EED O75530 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL21808963 0.86 NOTUM (0.39) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL3834171 0.81 MAOA (0.50) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL7697759 0.80 AKR1C3 (0.38) MEN1KMT2ANOTUMNPC1RAB9A
SCHEMBL56072 0.80 MAOA (0.54) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL7761447 0.77 MAOA (0.55) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL4779484 0.74 PDE4D (0.72) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL1300437 0.73 MAOA (0.48) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL20456233 0.73 MEN1 (0.49) MEN1KMT2AMAPTNOTUMNPC1
SCHEMBL8307804 0.72 MAOA (0.54) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL28028726 0.72 MAOA (0.54) MAOAMAOBMEN1KMT2AMAPT

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 4 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
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed