SCHEMBL5506296

SCHEMBL5506296

CN=C1CCOCCN1c1ccc(NC(=O)C2(NC(=O)Oc3ccc(Br)s3)CCC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.42
FAAH O00519 5/20 0.42
F10 P00742 2/20 0.42
MAPT P10636 7/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 5/20 0.38
LMNA P02545 4/20 0.38
NPC1 O15118 4/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL5509064 0.98 FAAH (0.44) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL5503566 0.93 F10 (0.42) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL5499138 0.93 F10 (0.41) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL5502075 0.93 F10 (0.42) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL5526021 0.91 TRPV1 (0.39) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL5506981 0.89 F10 (0.47) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL5527807 0.89 TRPV1 (0.41) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL4477339 0.88 F10 (0.51) F10MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL5509410 0.88 F10 (0.47) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL4467392 0.86 F10 (0.51) TRPV1FAAHF10MAPTSMN1; SMN2

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