SCHEMBL5509302

SCHEMBL5509302

O=C(NC1(C(=O)Nc2ccc(N3CCOCCC3=O)c(F)c2)CCOC1)Oc1ccc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.32
FAAH O00519 3/20 0.31
TRPV1 Q8NER1 3/20 0.31
MTOR P42345 2/20 0.31
DGAT1 O75907 1/20 0.31
PIM1 P11309 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5509457 0.92 F10 (0.37) F10NPC1RAB9AKMT2AHTT
SCHEMBL5506699 0.92 F10 (0.38) F10NPC1RAB9AKMT2AHTT
SCHEMBL5502514 0.92 FAAH (0.39) F10NPC1RAB9AKMT2AHTT
SCHEMBL5502455 0.91 F10 (0.42) F10FAAHTRPV1
SCHEMBL5503069 0.91 F10 (0.46) F10NPC1RAB9AKMT2AHTT
SCHEMBL5503849 0.90 F10 (0.40) F10MAPTFAAHTRPV1
SCHEMBL4465281 0.88 F10 (0.45) F10NPC1RAB9AKMT2AHTT
SCHEMBL5509717 0.85 F10 (0.43) F10FAAHTRPV1
SCHEMBL5505128 0.85 F10 (0.48) F10NPC1RAB9AKMT2AHTT
SCHEMBL5512752 0.84 FAAH (0.38) F10FAAHTRPV1LMNA

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