Sugi Predict

Sugi Predict / Compounds / SCHEMBL5074902

SCHEMBL5074902

SCHEMBL5074902

O=C1CN(Cc2ccccc2)CC2=C1C(c1ccc(F)c(Br)c1)C1=C(CN(Cc3ccccc3)CC1=O)N2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 20/20 0.56
▸ KCNJ11 Q14654 20/20 0.56
▸ ABCC8 Q09428 19/20 0.56
▸ KCNJ8 Q15842 19/20 0.56

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
SCHEMBL5078105 0.95 ABCC9 (0.63) ABCC9KCNJ11ABCC8KCNJ8
Hydrochloric Acid SCHEMBL5079043 0.92 ABCC9 (0.64) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5072959 0.92 ABCC9 (0.67) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5078115 0.92 ABCC9 (0.69) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7943102 0.89 ABCC9 (0.48) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5141498 0.88 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7943112 0.88 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5078962 0.87 ABCC9 (0.67) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5075369 0.85 ABCC9 (0.53) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5079021 0.84 ABCC9 (0.49) ABCC9KCNJ11ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 — — EP disclosed
US-6191140-B1 POTASSIUM CHANNEL MODULATORS; MUSCLE RELAXANTS; CONTROLLING CELL MEMBRANES ABBOTT LABORATORIES 2001-02-20 — — US disclosed