SCHEMBL5868477

SCHEMBL5868477

CC1(C)Oc2ccc(C(=O)NCCc3ccccc3)cc2C(NCc2ccccc2)C1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 14/20 0.69
▸ ABCB1 P08183 3/20 0.59
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KLF5 Q13887 2/20 0.50
▸ PKM P14618 1/20 0.48
▸ PAX8 Q06710 1/20 0.48

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
SCHEMBL6273955 0.82 KCNA5 (0.57) KCNA5ABCB1
SCHEMBL5868217 0.82 KCNA5 (0.57) KCNA5ABCB1
SCHEMBL5868219 0.82 KCNA5 (0.57) KCNA5ABCB1
SCHEMBL7253231 0.77 ABCB1 (0.68) KCNA5ABCB1
SCHEMBL10916183 0.75 ABCB1 (0.53) KCNA5ABCB1
SCHEMBL9394883 0.75 ABCB1 (1.00) ABCB1
SCHEMBL9394888 0.75 ABCB1 (1.00) ABCB1
SCHEMBL9394881 0.75 ABCB1 (1.00) ABCB1
SCHEMBL7253762 0.74 ABCB1 (0.53) KCNA5ABCB1
SCHEMBL5868232 0.73 ABCB1 (0.80) ABCB1

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
US-7041700-B2 Substituted benzopyran derivatives against arrhythmia NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-09 — — US claimed
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