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Sugi Predict / Compounds / SCHEMBL12469822

SCHEMBL12469822

SCHEMBL12469822

Fc1ccc(C2CCN(c3c(F)cc(-n4ccc(-c5cc6[nH]c([C@@H]7CCCN7)nc6cc5F)c4-c4cc5[nH]c([C@@H]6CCCN6)nc5cc4F)cc3F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ PARP1 P09874 5/20 0.32
▸ KMT2A Q03164 1/20 0.30
▸ PARP2 Q9UGN5 2/20 0.30
▸ MPO P05164 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
SCHEMBL239629 0.82 SCN10A (0.38) SCN10AKMT2AMPO
SCHEMBL20639342 0.82 SCN10A (0.38) SCN10AKMT2AMPO
SCHEMBL12470342 0.81 SCN10A (0.39) SCN10AKMT2A
SCHEMBL241559 0.80 SCN10A (0.43) SCN10AMPO
SCHEMBL20694958 0.80 SCN10A (0.43) SCN10AMPO
SCHEMBL15452940 0.76 SCN10A (0.38) SCN10A
SCHEMBL238095 0.76 SCN10A (0.38) SCN10A
SCHEMBL2278873 0.75 SCN10A (0.38) SCN10A
SCHEMBL242122 0.75 SCN10A (0.43) SCN10A
SCHEMBL236935 0.75 SCN10A (0.43) 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