SCHEMBL8852053

SCHEMBL8852053

COc1cc2c(cc1OC)CN(c1ncnc3c(N4CCOCC4)nc(N4CCC(N5CCOCC5)CC4)nc13)CC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.43
EHMT1 Q9H9B1 2/20 0.43
PDE10A Q9Y233 1/20 0.41
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAK O14976 3/20 0.39
MTOR P42345 2/20 0.39

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
SCHEMBL8851409 0.90 PDE10A (0.42) EHMT2EHMT1PDE10AMAPTHTT
SCHEMBL8851157 0.89 PDE10A (0.41) EHMT2EHMT1PDE10AMAPTHTT
SCHEMBL9233809 0.89 EHMT2 (0.44) EHMT2EHMT1PDE10AMAPTHTT
SCHEMBL8851225 0.87 PDE10A (0.44) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851107 0.86 PDE10A (0.41) EHMT2EHMT1PDE10AMAPTHTT
SCHEMBL8851802 0.86 MAPT (0.40) EHMT2EHMT1PDE10AMAPTHTT
SCHEMBL8851887 0.85 PDE10A (0.40) PDE10AMAPTHTTLMNANPSR1
SCHEMBL9234590 0.84 MAPT (0.43) PDE10AMAPTHTTLMNANPSR1
Oxalic Acid SCHEMBL9231493 0.82 ADAMTS4 (0.39) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851569 0.81 SMN1; SMN2 (0.51) PDE10AMAPTHTTLMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
EP-0645390-A1 Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1995-03-29 EP disclosed