SCHEMBL10853875

SCHEMBL10853875

CC1(C)Oc2ccc(C#N)cc2[C@H](NC=O)[C@H]1OC=O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 7/20 0.50
▸ ABCB1 P08183 12/20 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
SCHEMBL10853889 1.00 ABCC9 (0.50) ABCC9ABCB1
SCHEMBL10847995 1.00 ABCC9 (0.50) ABCC9ABCB1
SCHEMBL10889496 0.83 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL10889481 0.83 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL10889492 0.83 ABCC9 (0.66) ABCC9ABCB1
SCHEMBL10847997 0.82 ABCB1 (0.56) ABCC9ABCB1
SCHEMBL10847989 0.82 ABCB1 (0.56) ABCC9ABCB1
SCHEMBL10848198 0.81 HTT (0.34) ABCC9
SCHEMBL10851959 0.80 ABCC9 (0.38) ABCC9
SCHEMBL11074219 0.79 KDM4E (0.51) ABCC9ABCB1

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
US-4629734-A HYPOTENSIVE AGENTS BEECHAM GROUP P.L.C. (GB) 1986-12-16 — — US disclosed
EP-0126350-A1 Novel compounds BEECHAM GROUP PLC (GB) 1984-11-28 — — EP disclosed
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