SCHEMBL9529241

SCHEMBL9529241

COc1ccc2c(c1)[C@@H](N)[C@H](O)C(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR1A P08908 1/20 0.43
KCNE1 P15382 9/20 0.41
KCNQ1 P51787 9/20 0.41
HTR7 P34969 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCC9 O60706 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 2/20 0.36

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
SCHEMBL9529220 1.00 HTR2B (0.43) HTR2BSIGMAR1HTR1AKCNE1KCNQ1
SCHEMBL9529232 1.00 HTR2B (0.43) HTR2BSIGMAR1HTR1AKCNE1KCNQ1
SCHEMBL8803932 0.83 KCNE1 (0.42) KCNE1KCNQ1KCNH2
SCHEMBL8803927 0.83 KCNE1 (0.42) KCNE1KCNQ1KCNH2
SCHEMBL9032517 0.83 KCNE1 (0.42) KCNE1KCNQ1KCNH2
SCHEMBL9748864 0.80 KCNE1 (0.49) KCNE1KCNQ1KCNH2
SCHEMBL9197846 0.80 HTR1A (0.39) HTR2BSIGMAR1HTR1AKCNE1KCNQ1
SCHEMBL9197856 0.80 HTR1A (0.39) HTR2BSIGMAR1HTR1AKCNE1KCNQ1
SCHEMBL9197844 0.80 HTR1A (0.39) HTR2BSIGMAR1HTR1AKCNE1KCNQ1
SCHEMBL8946770 0.78 KCNE1 (0.37) KCNE1KCNQ1ABCC9KDM4EMEN1

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
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed