SCHEMBL6557110

SCHEMBL6557110

COc1cc2cnnc(N3CC[CH]CC3)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
ALDH1A1 P00352 2/20 0.43
EGFR P00533 1/20 0.41
SOS1 Q07889 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
FLT1 P17948 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.37
STAT6 P42226 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL11319778 0.83 PDE10A (0.49) PDE10AALDH1A1EGFRSOS1SMN1; SMN2
SCHEMBL11307305 0.82 PDE10A (0.59) PDE10AALDH1A1LMNAKMT2APDE4A
SCHEMBL11310184 0.80 PDE10A (0.49) PDE10ASOS1LMNAKMT2APDE4A
SCHEMBL3056496 0.78 PDE10A (0.47) PDE10AALDH1A1SOS1LMNAKMT2A
SCHEMBL3059540 0.77 PDE10A (0.57) PDE10ALMNAKMT2APDE4APDE4B
SCHEMBL3059781 0.77 PDE10A (0.52) PDE10AALDH1A1LMNAKMT2AKDM4E
SCHEMBL11177928 0.77 PDE10A (0.47) PDE10ALMNAKMT2APDE4APDE4B
SCHEMBL3062473 0.77 PDE10A (0.49) PDE10ASMN1; SMN2LMNAKMT2AACHE
SCHEMBL11170460 0.77 PDE10A (0.49) PDE10ALMNAKMT2APDE4APDE4B
SCHEMBL3051634 0.77 PDE10A (0.54) PDE10ALMNAKMT2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176960-B1 SYNERGISTIC COMBINATION COMPRISING ROFLUMILAST AND A PDE-3 INHIBITOR ALTANA PHARMA AG (DE) 2004-09-29 EP claimed