SCHEMBL7621994

SCHEMBL7621994

O=C1CCCC2=C1C(c1ccc(OC(F)(F)F)cc1)C1=C(CCS1)N2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 12/20 0.59
ABCC9 O60706 4/20 0.42
ABCC8 Q09428 4/20 0.42
KCNJ11 Q14654 4/20 0.42
KCNJ8 Q15842 4/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 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
SCHEMBL6468926 0.88 ABCC9 (0.55) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6470293 0.85 GPR174 (0.60) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7239584 0.84 ABCC9 (0.46) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7244170 0.84 ABCC9 (0.46) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7241991 0.84 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7623574 0.84 ABCC9 (0.47) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7239539 0.84 ABCC9 (0.49) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL7233283 0.82 ABCC9 (0.47) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7624629 0.82 KDM4E (0.48) GPR174ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6909249 0.82 FFAR3 (0.50) GPR174ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP claimed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO claimed
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