SCHEMBL9726702

SCHEMBL9726702

CCCN(CCC)CCN[C]=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL5257033 0.89 KDM5A (0.37) CA12CA9
SCHEMBL1266458 0.85 SIGMAR1 (0.35)
SCHEMBL5259256 0.79 KDM5A (0.37) CA12CA9
SCHEMBL758215 0.78 TSHR (0.38) CA12CA2CA9
SCHEMBL3706253 0.78 KDM4E (0.31)
SCHEMBL4460996 0.76 CYP2C9 (0.41)
SCHEMBL27555 0.75
SCHEMBL8437150 0.74 TSHR (0.46)
SCHEMBL8015726 0.74 ALDH1A1 (0.35)
SCHEMBL8347582 0.74 ALDH1A1 (0.35)

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