SCHEMBL11187828

SCHEMBL11187828

CC1(C)Oc2cccc(Cl)c2[C@H](O)[C@H]1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
CNR1 P21554 1/20 0.35
KCNE1 P15382 2/20 0.33
KCNQ1 P51787 2/20 0.33
AHR P35869 2/20 0.33
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR5A P47898 1/20 0.31
ABCC9 O60706 4/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RCE1 Q9Y256 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
SCHEMBL11187831 1.00 IDO1 (0.40) IDO1L3MBTL1CNR1KCNE1KCNQ1
SCHEMBL11187833 1.00 IDO1 (0.40) IDO1L3MBTL1CNR1KCNE1KCNQ1
SCHEMBL7253517 0.78 IDO1 (0.49) IDO1L3MBTL1KCNE1KCNQ1ABCC9
SCHEMBL10644246 0.78 IDO1 (0.49) IDO1L3MBTL1KCNE1KCNQ1ABCC9
SCHEMBL10644259 0.78 IDO1 (0.49) IDO1L3MBTL1KCNE1KCNQ1ABCC9
SCHEMBL10638859 0.73 KCNE1 (0.52) IDO1KCNE1KCNQ1ABCC9
SCHEMBL10638850 0.73 KCNE1 (0.52) IDO1KCNE1KCNQ1ABCC9
SCHEMBL10638845 0.73 KCNE1 (0.52) IDO1KCNE1KCNQ1ABCC9
SCHEMBL2006998 0.71 L3MBTL1 (0.35) IDO1L3MBTL1KCNE1KCNQ1ABCC9
SCHEMBL7328327 0.70 ABCC9 (0.43) IDO1KCNE1KCNQ1ABCC9ALDH1A1

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-0095316-A1 Pharmaceutically active aminobenzopyrans BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed