SCHEMBL5506905

SCHEMBL5506905

Cc1cc(NC(=O)C(C)(C)N)ccc1N1CCSCC1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.46
NPY2R P49146 1/20 0.40
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
WDR5 P61964 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL5510391 0.82 F10 (0.46) F10NPY2RCNR2MEN1KMT2A
SCHEMBL4000970 0.81 F10 (0.66) F10CNR2
SCHEMBL4459582 0.80 F10 (0.61) F10MEN1KMT2APOLBMAPT
SCHEMBL5506228 0.76 NPY2R (0.41) F10NPY2RCNR2WDR5MAPT
SCHEMBL5511183 0.75 NPC1 (0.41) F10NPY2RCNR2CNR1WDR5
SCHEMBL5505029 0.74 WDR5 (0.41) F10NPY2RCNR2CNR1MEN1
SCHEMBL5514263 0.73 F10 (0.53) F10NPY2RCNR2CNR1
SCHEMBL5568419 0.73 NPY2R (0.42) F10NPY2RCNR2CNR1WDR5
SCHEMBL5562241 0.72 NPY2R (0.41) F10NPY2RCNR2CNR1WDR5
SCHEMBL29653575 0.71 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