SCHEMBL13476129

SCHEMBL13476129

CC1(C)Oc2cc(O)c(N)cc2C(NCCc2ccccc2)C1O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 6/20 0.48
KCNA5 P22460 8/20 0.45
IDO1 P14902 1/20 0.36
ABCC9 O60706 3/20 0.35
FUCA1 P04066 2/20 0.34

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
SCHEMBL2007814 0.92 ABCB1 (0.51) ABCB1KCNA5IDO1ABCC9FUCA1
SCHEMBL2889446 0.92 ABCB1 (0.51) ABCB1KCNA5IDO1ABCC9FUCA1
SCHEMBL13199615 0.86 ABCB1 (0.47) ABCB1KCNA5IDO1ABCC9FUCA1
SCHEMBL13476147 0.86 ABCB1 (0.47) ABCB1KCNA5IDO1ABCC9
SCHEMBL13476202 0.85 KCNA5 (0.46) ABCB1KCNA5IDO1ABCC9
SCHEMBL13476163 0.85 ABCB1 (0.55) ABCB1KCNA5ABCC9
SCHEMBL13476276 0.85 ABCB1 (0.45) ABCB1KCNA5IDO1
SCHEMBL3603668 0.84 ABCB1 (0.52) ABCB1KCNA5IDO1ABCC9FUCA1
SCHEMBL2882292 0.83 KCNA5 (0.47) ABCB1KCNA5
SCHEMBL6269528 0.83 KCNA5 (0.47) ABCB1KCNA5

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
WO-2010018867-A1 DI-SUBSTITUTED BENZOPYRANE COMPOUND 日産化学工業株式会社 (JP) 2010-02-18 WO disclosed