SCHEMBL8420168

SCHEMBL8420168

CC(Nc1c(NCc2cc3cc(C#N)ccc3o2)c(=O)c1=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.53
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
KCNJ8 Q15842 1/20 0.53
HRH3 Q9Y5N1 10/20 0.38
PLK1 P53350 6/20 0.38
CHEK1 O14757 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
CSNK1G2 P78368 1/20 0.36
PRKCZ Q05513 1/20 0.36
ROCK1 Q13464 1/20 0.36
PKN2 Q16513 1/20 0.36

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
SCHEMBL8381744 0.84 HRH3 (0.40) ABCC9ABCC8KCNJ11KCNJ8HRH3
SCHEMBL8420707 0.82 MAOB (0.43) ABCC9ABCC8KCNJ11KCNJ8HRH3
SCHEMBL8386573 0.82 HRH3 (0.39) ABCC9ABCC8KCNJ11KCNJ8HRH3
SCHEMBL8420167 0.79 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8HRH3
SCHEMBL8381751 0.78 HRH3 (0.36) ABCC9ABCC8KCNJ11KCNJ8HRH3
SCHEMBL7886866 0.77 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7894022 0.77 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7886860 0.77 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7887074 0.77 ABCC9 (0.71) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7895748 0.77 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906282-A1 HETEROCYCLYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AS POTASSIUM CHANNEL MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-04-07 EP claimed
US-5872139-A MUSCLE RELAXANTS USED TO TREAT URINARY INCONTINENCE, IRRITABLE BOWEL SYNDROME, ASTHMA, PREMATURE LABOR, CONGESTIVE HEART FAILURE, ANGINA, CEREBRAL VASCULAR DISEASE AND HYPERTENSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-16 US claimed
WO-1997048682-A1 HETEROCYCLYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AS POTASSIUM CHANNEL MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-12-24 WO claimed
EP-0906282-A1 HETEROCYCLYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AS POTASSIUM CHANNEL MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-04-07 EP disclosed
US-5872139-A MUSCLE RELAXANTS USED TO TREAT URINARY INCONTINENCE, IRRITABLE BOWEL SYNDROME, ASTHMA, PREMATURE LABOR, CONGESTIVE HEART FAILURE, ANGINA, CEREBRAL VASCULAR DISEASE AND HYPERTENSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-16 US disclosed
WO-1997048682-A1 HETEROCYCLYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES AS POTASSIUM CHANNEL MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-12-24 WO disclosed