SCHEMBL5074897

SCHEMBL5074897

O=C1CNCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCCS1)N2

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 20/20 0.72
ABCC8 Q09428 20/20 0.72
KCNJ11 Q14654 20/20 0.72
KCNJ8 Q15842 20/20 0.72

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
SCHEMBL5075087 0.94 ABCC9 (0.75) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6905789 0.89 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6904323 0.89 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6910304 0.85 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6908006 0.85 ABCC9 (0.70) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5074912 0.85 ABCC9 (0.74) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7234724 0.84 ABCC9 (0.55) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5075094 0.84 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6431808 0.84 ABCC9 (0.72) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6436245 0.84 ABCC9 (0.72) 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
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 EP claimed
EP-1124828-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024743-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2000-05-04 WO disclosed