SCHEMBL9875627

SCHEMBL9875627

CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](NC2=CC(=O)CC2)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 8/20 0.41
ABCB1 P08183 8/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9876499 0.82 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9876500 0.82 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9876501 0.82 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9443549 0.80 L3MBTL1 (0.37) ABCC9L3MBTL1
Hydrochloric Acid SCHEMBL11611209 0.78 ABCC9 (0.42) ABCC9ABCB1
Hydrochloric Acid SCHEMBL11611201 0.78 ABCC9 (0.42) ABCC9ABCB1
Hydrochloric Acid SCHEMBL11611206 0.78 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL9875560 0.77 ABCC9 (0.41) ABCC9ABCB1
SCHEMBL11613992 0.76 ABCB1 (0.49) ABCC9ABCB1
SCHEMBL11613995 0.76 ABCB1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US disclosed