SCHEMBL8851157

SCHEMBL8851157

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
EHMT2 Q96KQ7 2/20 0.38
EHMT1 Q9H9B1 2/20 0.38
CCR4 P51679 1/20 0.38
MTOR P42345 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
SCHEMBL8851887 0.95 PDE10A (0.40) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851802 0.91 MAPT (0.40) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851409 0.90 PDE10A (0.42) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851316 0.90 PIK3CD (0.36) PDE10AMTOR
SCHEMBL8851107 0.89 PDE10A (0.41) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8852053 0.89 EHMT2 (0.43) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851821 0.88 PIK3CD (0.35) PDE10AMTOR
SCHEMBL9233809 0.88 EHMT2 (0.44) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851225 0.87 PDE10A (0.44) PDE10AMAPTHTTLMNANPSR1
SCHEMBL8851209 0.86 LMNA (0.41) MAPTHTTLMNANPSR1MTOR

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
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 claimed
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 claimed
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