SCHEMBL9726516

SCHEMBL9726516

CCc1c(NCc2ccc(OC)cc2)cnn(C(C)C)c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 9/20 0.56
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE5A O76074 1/20 0.44
PDE6C P51160 1/20 0.44
PDE4D Q08499 1/20 0.44
GRM2 Q14416 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43
KDM8 Q8N371 1/20 0.43
BPTF Q12830 1/20 0.41

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
SCHEMBL9726473 0.91 PDE9A (0.54) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL9726564 0.86 PDE9A (0.58) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL9726814 0.85 PDE9A (0.57) PDE9APDE1APDE1BPDE1CPDE5A
SCHEMBL9726712 0.84 PDE9A (0.60) PDE9A
SCHEMBL9726540 0.82 KDM4E (0.44) PDE9AKDM4E
SCHEMBL9726477 0.79 PDE9A (0.48) PDE9APDE1APDE1BPDE1CGRM2
SCHEMBL9726486 0.78 PDE9A (0.57) PDE9AGRM2
SCHEMBL10601786 0.76 BPTF (0.53) PDE9APDE1APDE1BPDE1CBPTF
SCHEMBL9726529 0.76 PDE9A (0.45) PDE9APDE1APDE1BPDE1CBPTF
SCHEMBL9726658 0.76 PDE9A (0.58) PDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed