SCHEMBL6281202

SCHEMBL6281202

CC1(C)Oc2ccc(C#N)cc2[C@H](NCCc2ccc(F)cc2)C1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.64
ABCC9 O60706 9/20 0.54

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
SCHEMBL5868271 1.00 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL5868275 1.00 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL5868234 0.89 ABCB1 (0.80) ABCB1ABCC9
SCHEMBL6268876 0.89 ABCB1 (0.80) ABCB1ABCC9
SCHEMBL5868232 0.89 ABCB1 (0.80) ABCB1ABCC9
SCHEMBL7472234 0.84 ABCC9 (0.61) ABCB1ABCC9
SCHEMBL7472242 0.84 ABCC9 (0.61) ABCB1ABCC9
SCHEMBL7472250 0.84 ABCC9 (0.61) ABCB1ABCC9
SCHEMBL5868470 0.84 ABCB1 (0.65) ABCB1ABCC9
SCHEMBL6279389 0.84 ABCB1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401823-B1 SUBSTITUTED BENZOPYRAN DERIVATIVES AGAINST ARRHYTHMIA NISSAN CHEMICAL IND LTD (JP) 2005-10-05 EP disclosed
EP-1401823-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES AGAINST ARRHYTHMIA Nissan Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
WO-2003000675-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES AGAINST ARRHYTHMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-03 WO disclosed