SCHEMBL9393948

SCHEMBL9393948

CC1(C)Oc2ccc(C#N)cc2[C@@H](NCc2cccc(F)c2)[C@@H]1O

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 11/20 0.79
▸ ABCC9 O60706 8/20 0.53

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
SCHEMBL9394883 0.88 ABCB1 (1.00) ABCB1ABCC9
SCHEMBL9394888 0.88 ABCB1 (1.00) ABCB1ABCC9
SCHEMBL9394881 0.88 ABCB1 (1.00) ABCB1ABCC9
SCHEMBL5868271 0.80 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL5868275 0.80 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL6281202 0.80 ABCB1 (0.64) ABCB1ABCC9
SCHEMBL8839473 0.80 ABCB1 (0.73) ABCB1ABCC9
SCHEMBL10866418 0.80 ABCB1 (0.73) ABCB1ABCC9
SCHEMBL5868232 0.80 ABCB1 (0.80) ABCB1ABCC9
SCHEMBL6268876 0.80 ABCB1 (0.80) 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
WO-1994013656-A1 BICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-06-23 — — WO disclosed
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