SCHEMBL7233283

SCHEMBL7233283

C=Cc1ccc(C2C3=C(CCS3)NC3=C2C(=O)CCC3)cc1OC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.47
ABCC8 Q09428 10/20 0.47
KCNJ11 Q14654 10/20 0.47
KCNJ8 Q15842 10/20 0.47
BCHE P06276 2/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.42
GPR174 Q9BXC1 2/20 0.42
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7239539 0.87 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7244170 0.87 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7623574 0.87 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7626479 0.86 BCHE (0.43) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7624629 0.85 KDM4E (0.48) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7239584 0.85 ABCC9 (0.46) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7241991 0.85 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7244383 0.84 BCHE (0.44) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL7236564 0.84 ABCC9 (0.45) ABCC9ABCC8KCNJ11KCNJ8BCHE
SCHEMBL6436921 0.84 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8

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-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed