SCHEMBL5512752

SCHEMBL5512752

O=C(NC1(C(=O)Nc2ccc(N3CCOCCC3=O)c(Br)c2)CCC1)Oc1ccc(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.38
TRPV1 Q8NER1 10/20 0.38
F10 P00742 3/20 0.38
ACP1 P24666 2/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL5506911 0.98 FAAH (0.40) FAAHTRPV1F10ACP1LMNA
SCHEMBL5506699 0.92 F10 (0.38) FAAHTRPV1F10
SCHEMBL5505663 0.92 F10 (0.43) FAAHTRPV1F10
SCHEMBL5506981 0.92 F10 (0.47) FAAHTRPV1F10LMNA
SCHEMBL5509457 0.92 F10 (0.37) FAAHTRPV1F10ACP1LMNA
SCHEMBL5525032 0.91 FAAH (0.44) FAAHTRPV1F10LMNA
SCHEMBL5512361 0.90 F10 (0.43) FAAHTRPV1F10
SCHEMBL5502514 0.90 FAAH (0.39) FAAHTRPV1F10
SCHEMBL5509410 0.90 F10 (0.47) FAAHTRPV1F10LMNA
SCHEMBL5505612 0.90 F10 (0.41) FAAHTRPV1F10

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