SCHEMBL7874513

SCHEMBL7874513

CC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C(O)C1Br

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
KCNE1 P15382 7/20 0.33
KCNQ1 P51787 7/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.32
ABCC9 O60706 2/20 0.32
KCNA5 P22460 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABCB1 P08183 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL9141226 1.00 IDO1 (0.35) IDO1KCNE1KCNQ1L3MBTL1KCNH2
SCHEMBL9141834 1.00 IDO1 (0.35) IDO1KCNE1KCNQ1L3MBTL1KCNH2
SCHEMBL9753169 0.90 IDO1 (0.36) IDO1KCNE1KCNQ1L3MBTL1KCNH2
SCHEMBL9753173 0.90 IDO1 (0.36) IDO1KCNE1KCNQ1L3MBTL1KCNH2
SCHEMBL9753172 0.90 IDO1 (0.36) IDO1KCNE1KCNQ1L3MBTL1KCNH2
SCHEMBL9581291 0.85 IDO1 (0.37) IDO1KCNE1KCNQ1L3MBTL1ABCC9
SCHEMBL9581287 0.85 IDO1 (0.37) IDO1KCNE1KCNQ1L3MBTL1ABCC9
SCHEMBL9581289 0.85 IDO1 (0.37) IDO1KCNE1KCNQ1L3MBTL1ABCC9
Hydrochloric Acid SCHEMBL9474561 0.79 KCNE1 (0.35) KCNE1KCNQ1L3MBTL1KCNH2ABCC9
Hydrochloric Acid SCHEMBL9474567 0.79 KCNE1 (0.35) KCNE1KCNQ1L3MBTL1KCNH2ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571822-B1 Diazabicycloalkene derivatives DAIICHI SEIYAKU CO (JP) 2001-08-16 EP disclosed
US-5470872-A Benzopyranols BEECHAM GROUP PLC (GB) 1995-11-28 US disclosed
US-5418232-A Hypotensive, increases renal blood flow DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-23 US disclosed
EP-0376524-B1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1995-03-29 EP disclosed
EP-0633256-A1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1995-01-11 EP disclosed
EP-0571822-A1 Diazabicycloalkene derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-12-01 EP disclosed
EP-0376524-A1 Benzopyran and related compounds BEECHAM GROUP PLC (GB) 1990-07-04 EP disclosed