SCHEMBL5509717

SCHEMBL5509717

Cc1cc(NC(=O)C2(NC(=O)Oc3ccc(Br)s3)COC2)ccc1N1CCOCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.43
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ITGA4 P13612 1/20 0.34

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
SCHEMBL5502455 0.94 F10 (0.42) F10FAAHTRPV1
SCHEMBL5509350 0.93 F10 (0.39) F10FAAHTRPV1ITGA4
SCHEMBL5505663 0.93 F10 (0.43) F10FAAHTRPV1
SCHEMBL5512361 0.93 F10 (0.43) F10FAAHTRPV1
SCHEMBL5505128 0.90 F10 (0.48) F10FAAHTRPV1
SCHEMBL5509670 0.90 F10 (0.41) F10FAAHTRPV1ITGA4
SCHEMBL5513037 0.88 F10 (0.37) F10FAAHTRPV1
SCHEMBL4458523 0.87 F10 (0.49) F10
SCHEMBL5509457 0.86 F10 (0.37) F10FAAHTRPV1
SCHEMBL5506302 0.86 F10 (0.37) F10FAAHTRPV1

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