SCHEMBL12470342

SCHEMBL12470342

COc1ccc(C2CCN(c3c(F)cc(-n4ccc(-c5ccc6nc([C@@H]7CCCN7)[nH]c6c5)c4-c4ccc5nc([C@@H]6CCCN6)[nH]c5c4)cc3F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
POLB P06746 1/20 0.36
HTR2B P41595 1/20 0.35
SSTR2 P30874 3/20 0.34
KCNH2 Q12809 3/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL240718 0.86 SCN10A (0.42) SCN10APOLB
SCHEMBL12469822 0.81 SCN10A (0.36) SCN10AKMT2A
SCHEMBL241559 0.77 SCN10A (0.43) SCN10A
SCHEMBL20694958 0.77 SCN10A (0.43) SCN10A
SCHEMBL242122 0.76 SCN10A (0.43) SCN10AHTR2B
SCHEMBL240746 0.76 SCN10A (0.43) SCN10AHTR2B
Hydrochloric Acid SCHEMBL238134 0.76 SCN10A (0.42) SCN10AHTR2B
SCHEMBL236935 0.75 SCN10A (0.43) SCN10A
SCHEMBL241949 0.75 SCN10A (0.43) SCN10A
SCHEMBL12470884 0.73 SCN10A (0.40) SCN10A

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-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed