SCHEMBL9875560

SCHEMBL9875560

CC1(C)Oc2ccncc2[C@H](NC2=CC(=O)CC2)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 12/20 0.41
RORC P51449 1/20 0.37
ABCB1 P08183 4/20 0.33

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
SCHEMBL9876500 0.78 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9876499 0.78 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9876501 0.78 ABCC9 (0.59) ABCC9ABCB1
SCHEMBL9875627 0.77 ABCC9 (0.41) ABCC9ABCB1
SCHEMBL9363850 0.76 ABCC9 (0.47) ABCC9RORCABCB1
SCHEMBL9363847 0.76 ABCC9 (0.47) ABCC9RORCABCB1
SCHEMBL9363860 0.76 ABCC9 (0.47) ABCC9RORCABCB1
SCHEMBL9831898 0.75 ABCC9 (0.51) ABCC9
SCHEMBL9831880 0.75 ABCC9 (0.51) ABCC9
SCHEMBL9831886 0.75 ABCC9 (0.51) ABCC9

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