SCHEMBL8902662

SCHEMBL8902662

CC1(C)Oc2ccc(P(=O)(O)c3ccccc3)cc2[C@@H](N)[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 4/20 0.45
▸ ABCB1 P08183 6/20 0.35
▸ KCNE1 P15382 5/20 0.35
▸ KCNQ1 P51787 5/20 0.35

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
SCHEMBL8902660 1.00 ABCC9 (0.45) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL8902117 0.81 ABCC9 (0.41) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9200860 0.73 ABCC9 (0.54) ABCC9KCNE1KCNQ1
SCHEMBL9205841 0.73 ABCC9 (0.54) ABCC9KCNE1KCNQ1
SCHEMBL9354152 0.73 KCNE1 (0.49) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL29653960 0.73 KCNE1 (0.49) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL9354158 0.73 KCNE1 (0.49) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL7797206 0.73 KCNE1 (0.49) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL29172252 0.73 KCNE1 (0.49) ABCC9ABCB1KCNE1KCNQ1
SCHEMBL29653950 0.73 KCNE1 (0.49) ABCC9ABCB1KCNE1KCNQ1

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-5612323-A ANTIISCHEMIC BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-18 — — US disclosed
Send feedback