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Sugi Predict / Compounds / SCHEMBL5514263

SCHEMBL5514263

SCHEMBL5514263

Cc1cc(NC(=O)C(C)(C)N)ccc1N1CCOCC1=S

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.53
▸ CNR2 P34972 5/20 0.43
▸ CNR1 P21554 2/20 0.40
▸ KCNQ2 O43526 1/20 0.39
▸ NPY2R P49146 1/20 0.39

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
SCHEMBL4000970 0.88 F10 (0.66) F10CNR2
SCHEMBL5506228 0.83 NPY2R (0.41) F10CNR2KCNQ2NPY2R
SCHEMBL5505143 0.83 F10 (0.53) F10CNR2CNR1
SCHEMBL5511183 0.82 NPC1 (0.41) F10CNR2CNR1KCNQ2NPY2R
SCHEMBL5505029 0.81 WDR5 (0.41) F10CNR2CNR1NPY2R
SCHEMBL4465502 0.81 F10 (0.69) F10
SCHEMBL5502392 0.80 F10 (0.43) F10CNR2CNR1
SCHEMBL5509349 0.80 F10 (0.43) F10CNR2CNR1
SCHEMBL5504063 0.79 F10 (0.42) F10CNR2CNR1
SCHEMBL29653575 0.78 F10 (0.62) F10CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 — — EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 — — WO disclosed