SCHEMBL4012607

SCHEMBL4012607

COc1ccc(C2CCC(C#N)(OC=O)CC2)c2c1oc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
MAOA P21397 7/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PDE4B Q07343 3/20 0.36
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL4018060 0.77 MAOA (0.51) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL4013452 0.75 MAOA (0.46) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL4532164 0.74 MAOA (0.37) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL4527581 0.74 PDE10A (0.43) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL8272339 0.71 MAOA (0.50) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL8272635 0.71 PDE10A (0.56) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL4527577 0.70 PDE10A (0.43) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL7705507 0.70 PDE10A (0.51) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL8271339 0.69 PDE10A (0.59) PDE10AMAOANPC1RAB9AKDM4E
SCHEMBL4008944 0.69 PDE4B (0.48) PDE10AMAOANPC1RAB9AKDM4E

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
EP-2074106-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 Matrix Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008032171-A1 DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MATRIX LABORATORIES LTD. (DE) 2008-03-20 WO disclosed