SCHEMBL5079077

SCHEMBL5079077

N#Cc1cccc(C2C3=C(CCS3)NC3=C2C(=O)COC3)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 19/20 0.58
KCNJ11 Q14654 19/20 0.58
ABCC8 Q09428 15/20 0.58
KCNJ8 Q15842 15/20 0.58
NOTCH1 P46531 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
SCHEMBL6434255 0.88 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8NOTCH1
SCHEMBL6431754 0.87 ABCC9 (0.66) ABCC9KCNJ11ABCC8KCNJ8NOTCH1
SCHEMBL5073035 0.87 ABCC9 (0.71) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL6905395 0.83 ABCC9 (0.77) ABCC9KCNJ11ABCC8KCNJ8NOTCH1
SCHEMBL7232595 0.83 ABCC9 (0.54) ABCC9KCNJ11ABCC8KCNJ8NOTCH1
SCHEMBL6909574 0.81 ABCC9 (0.70) ABCC9KCNJ11ABCC8KCNJ8NOTCH1
SCHEMBL7623743 0.79 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8NOTCH1
SCHEMBL5075061 0.79 ABCC9 (0.78) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL7624686 0.78 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8NOTCH1
SCHEMBL5075474 0.76 ABCC9 (0.76) 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 7 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-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP claimed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO claimed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 WO disclosed
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