SCHEMBL10545895

SCHEMBL10545895

COc1ccc2nc(COc3ccc(F)cc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 15/20 0.55
PDE4A P27815 4/20 0.55
PDE4B Q07343 4/20 0.55
PDE3B Q13370 3/20 0.55
PDE3A Q14432 3/20 0.55
NCF1 P14598 1/20 0.49
CYSLTR1 Q9Y271 2/20 0.48
CYSLTR2 Q9NS75 1/20 0.48
NQO1 P15559 1/20 0.47
HTR2B P41595 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL2564677 0.80 PDE10A (0.54) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL10547699 0.79 CYSLTR1 (0.76) PDE10ACYSLTR1CYSLTR2HTR2B
SCHEMBL10547669 0.79 CYSLTR1 (0.52) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL10544867 0.78 CYSLTR1 (0.75) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL8732702 0.77 PDE10A (0.66) PDE10ACYSLTR1CYSLTR2
SCHEMBL7835368 0.77 NCF1 (0.59) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL10547475 0.76 CYSLTR1 (0.76) PDE10ACYSLTR1CYSLTR2
SCHEMBL8180490 0.76 PDE10A (0.47) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL10546719 0.76 CYSLTR1 (0.72) CYSLTR1
SCHEMBL13772899 0.75 PDE10A (0.73) PDE10ACYSLTR1CYSLTR2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US claimed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP claimed
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed
US-4728668-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-03-01 US disclosed
US-4725619-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORPORATION (US) 1988-02-16 US disclosed
US-4631287-A Aryl and heteroaryl ethers as agents for the treatment of hypersensitive ailments USV PHARMACEUTICAL CORP. (US) 1986-12-23 US disclosed
EP-0200101-A2 Aryl and heteroaryl ethers as agents for the treatment of hypersensitive aliments USV PHARMACEUTICAL CORPORATION (US) 1986-11-05 EP disclosed