SCHEMBL11613992

SCHEMBL11613992

CC(C)NC1c2cc([N+](=O)[O-])ccc2OC(C)(C)C1O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.49
ABCC9 O60706 5/20 0.41

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
SCHEMBL11613995 1.00 ABCB1 (0.49) ABCB1ABCC9
SCHEMBL11613990 1.00 ABCB1 (0.49) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11615466 0.99 ABCB1 (0.48) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11615462 0.99 ABCB1 (0.48) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11615470 0.99 ABCB1 (0.48) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11612316 0.90 ABCB1 (0.47) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11612318 0.90 ABCB1 (0.47) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11611206 0.85 ABCC9 (0.42) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11611201 0.85 ABCC9 (0.42) ABCB1ABCC9
Hydrochloric Acid SCHEMBL11611209 0.85 ABCC9 (0.42) 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
US-4110347-A ANTIHYPERTENSIVE BEECHAM GROUP LIMITED (GB) 1978-08-29 US disclosed