SCHEMBL9029062

SCHEMBL9029062

N#Cc1ccc2c(N3CCC(O)CC3)nnc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.67
PDE2A O00408 2/20 0.67

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
Hydrochloric Acid SCHEMBL6593110 0.99 PDE5A (0.68) PDE5APDE2A
Hydrochloric Acid SCHEMBL6774920 0.84 PDE5A (0.81) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779748 0.82 PDE5A (0.81) PDE5APDE2A
SCHEMBL7503382 0.82 PDE4A (0.63) PDE5APDE2A
Hydrochloric Acid SCHEMBL6773856 0.81 PDE5A (0.85) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779744 0.81 PDE5A (0.81) PDE5APDE2A
SCHEMBL1962546 0.80 PDE5A (1.00) PDE5APDE2A
Hydrochloric Acid SCHEMBL6779383 0.80 PDE5A (0.83) PDE5APDE2A
Hydrochloric Acid SCHEMBL6778547 0.80 PDE5A (0.82) PDE5APDE2A
Hydrochloric Acid SCHEMBL4219631 0.80 PDE5A (1.00) PDE5APDE2A

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-0722936-A1 FUSED PYRIDAZINE COMPOUND Eisai Co., Ltd. (JP) 1996-07-24 EP disclosed