SCHEMBL9213263

SCHEMBL9213263

CC1(C)Oc2ccc(C(F)(F)F)cc2C(O)C1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
KCNA5 P22460 1/20 0.35
CNR2 P34972 1/20 0.34
KDM1A O60341 2/20 0.34
KCNE1 P15382 7/20 0.33
KCNQ1 P51787 7/20 0.33
BACE1 P56817 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TERT O14746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.32
HCRTR2 O43614 1/20 0.32
ABCC9 O60706 1/20 0.32

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
SCHEMBL9213275 1.00 PNMT (0.38) PNMTKCNA5CNR2KDM1AKCNE1
SCHEMBL9213253 1.00 PNMT (0.38) PNMTKCNA5CNR2KDM1AKCNE1
SCHEMBL9270605 0.84 PNMT (0.39) PNMTKCNA5CNR2KCNE1KCNQ1
SCHEMBL9270610 0.84 PNMT (0.39) PNMTKCNA5CNR2KCNE1KCNQ1
SCHEMBL9753173 0.84 IDO1 (0.36) KCNA5CNR2KCNE1KCNQ1BACE1
SCHEMBL9753172 0.84 IDO1 (0.36) KCNA5CNR2KCNE1KCNQ1BACE1
SCHEMBL9753169 0.84 IDO1 (0.36) KCNA5CNR2KCNE1KCNQ1BACE1
SCHEMBL9270612 0.84 PNMT (0.39) PNMTKCNA5CNR2KCNE1KCNQ1
SCHEMBL9221034 0.78 KCNE1 (0.51) KCNE1KCNQ1ABCC9
SCHEMBL9221043 0.78 KCNE1 (0.51) KCNE1KCNQ1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP claimed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
EP-0375449-B1 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1995-02-15 EP disclosed
EP-0375449-A2 Benzopyran-type compounds BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed