SCHEMBL9397697

SCHEMBL9397697

CC(=O)NNC1c2cc(C#N)ccc2OC(C)(C)C1O

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.67
ABCC9 O60706 8/20 0.67
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL9397690 1.00 ABCB1 (0.67) ABCB1ABCC9KDM4E
SCHEMBL9397704 1.00 ABCB1 (0.67) ABCB1ABCC9KDM4E
SCHEMBL9397760 0.89 ABCB1 (0.66) ABCB1ABCC9
SCHEMBL9397766 0.89 ABCB1 (0.66) ABCB1ABCC9
SCHEMBL9397779 0.89 ABCB1 (0.66) ABCB1ABCC9
SCHEMBL9532337 0.89 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL9273375 0.89 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL9532318 0.89 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL9273381 0.89 ABCC9 (0.78) ABCB1ABCC9KDM4E
SCHEMBL9273379 0.89 ABCC9 (0.78) ABCB1ABCC9KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5318969-A Hypotensive, vasodilating action and muscle relaxants YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-07 US disclosed
EP-0339562-B1 BENZOPYRAN COMPOUND AND ITS PHARMACEUTICAL USE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-09-15 EP disclosed
US-5143936-A Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed