SCHEMBL7480540

SCHEMBL7480540

CC1(C)Oc2ccc(C#N)cc2C(NCC(=O)c2ccc(F)c(F)c2)C1O

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.63
ABCC9 O60706 9/20 0.61

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
SCHEMBL7480537 1.00 ABCB1 (0.63) ABCB1ABCC9
SCHEMBL7476861 0.90 ABCB1 (0.65) ABCB1ABCC9
SCHEMBL7476856 0.90 ABCB1 (0.65) ABCB1ABCC9
SCHEMBL7476866 0.90 ABCB1 (0.65) ABCB1ABCC9
SCHEMBL7476940 0.85 ABCC9 (0.80) ABCB1ABCC9
SCHEMBL8615279 0.82 ABCB1 (0.74) ABCB1ABCC9
SCHEMBL9620901 0.82 ABCB1 (0.74) ABCB1ABCC9
SCHEMBL9620891 0.82 ABCB1 (0.74) ABCB1ABCC9
SCHEMBL7472234 0.81 ABCC9 (0.61) ABCB1ABCC9
SCHEMBL7472250 0.81 ABCC9 (0.61) ABCB1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587645-B1 BENZO- AND PYRIDOPYRAN DERIVATIVES HAVING ANXIOLYTIC AND ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2002-02-27 EP claimed