SCHEMBL8983452

SCHEMBL8983452

CC1(C)Oc2ccc(C#N)cc2C(N/C(=N\C#N)Nc2ccc(O)cc2)C1O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.57
ABCB1 P08183 10/20 0.51

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
SCHEMBL8983455 1.00 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983468 1.00 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983602 1.00 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983483 0.95 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983583 0.95 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983485 0.95 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983497 0.95 ABCC9 (0.62) ABCC9ABCB1
SCHEMBL8983539 0.92 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983534 0.92 ABCC9 (0.57) ABCC9ABCB1
SCHEMBL8983456 0.91 ABCC9 (0.56) ABCC9ABCB1

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-0501797-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-06-05 EP claimed
EP-0501797-B1 Pyranyl cyanoguanidine derivatives SQUIBB & SONS INC (US) 1996-06-05 EP disclosed