SCHEMBL5507232

SCHEMBL5507232

Cc1cc(NC(=O)C2(NC(=O)Oc3ccc(Br)s3)CCC2)ccc1N1CCOCCC1=NO

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.40
TRPV1 Q8NER1 6/20 0.40
F10 P00742 10/20 0.39
TACR2 P21452 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL5504266 0.98 FAAH (0.41) FAAHTRPV1F10TACR2CNR1
SCHEMBL5509110 0.93 F10 (0.38) FAAHTRPV1F10
SCHEMBL5505624 0.91 FAAH (0.40) FAAHTRPV1F10TACR2CNR1
SCHEMBL5505663 0.90 F10 (0.43) FAAHTRPV1F10
SCHEMBL5500198 0.89 FAAH (0.42) FAAHTRPV1F10CNR1CNR2
SCHEMBL5512361 0.88 F10 (0.43) FAAHTRPV1F10CNR1CNR2
SCHEMBL4456117 0.88 F10 (0.41) F10
SCHEMBL5508270 0.88 FAAH (0.42) FAAHTRPV1F10TACR2CNR1
SCHEMBL5503931 0.88 FAAH (0.44) FAAHTRPV1F10TACR2CNR1
SCHEMBL4471614 0.86 CTSL (0.43) F10

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