SCHEMBL9218809

SCHEMBL9218809

CC1(C)Oc2ccc(C#N)cc2C(NC(=O)c2ccccc2)[C@@H]1O

nearest known ligand 0.87

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 10/20 0.87
ABCB1 P08183 7/20 0.65
KDM4E B2RXH2 1/20 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
SCHEMBL8342992 1.00 ABCC9 (0.87) ABCC9ABCB1KDM4E
SCHEMBL3298515 1.00 ABCC9 (0.87) ABCC9ABCB1KDM4E
SCHEMBL8343004 1.00 ABCC9 (0.87) ABCC9ABCB1KDM4E
SCHEMBL3298509 1.00 ABCC9 (0.87) ABCC9ABCB1KDM4E
SCHEMBL3298519 1.00 ABCC9 (0.87) ABCC9ABCB1KDM4E
SCHEMBL10766526 0.97 ABCC9 (0.82) ABCC9ABCB1KDM4E
SCHEMBL10766525 0.97 ABCC9 (0.82) ABCC9ABCB1KDM4E
SCHEMBL8341342 0.93 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL8341353 0.93 ABCC9 (1.00) ABCC9ABCB1KDM4E
SCHEMBL8341346 0.93 ABCC9 (1.00) ABCC9ABCB1KDM4E

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-0673374-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-09-27 EP claimed
EP-0673374-A1 PHARMACEUTICAL COMPOSITION CONTAINING BICYCLIC TYPE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-09-27 EP disclosed