SCHEMBL5508787

SCHEMBL5508787

COc1cc(NC(=O)C2(NC(=O)Oc3ccc(Br)s3)CCCC2)ccc1N1CCOCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.46
TRPV1 Q8NER1 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
F10 P00742 3/20 0.38
QPCT Q16769 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 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
SCHEMBL5525032 0.98 FAAH (0.44) FAAHTRPV1SMN1; SMN2F10QPCT
SCHEMBL5512361 0.91 F10 (0.43) FAAHTRPV1F10
SCHEMBL5506911 0.91 FAAH (0.40) FAAHTRPV1F10LMNA
SCHEMBL5505663 0.89 F10 (0.43) FAAHTRPV1F10
SCHEMBL5509410 0.89 F10 (0.47) FAAHTRPV1SMN1; SMN2F10MEN1
SCHEMBL5502514 0.89 FAAH (0.39) FAAHTRPV1F10KMT2AHTT
SCHEMBL5512752 0.89 FAAH (0.38) FAAHTRPV1F10LMNA
SCHEMBL4461044 0.88 F10 (0.46) FAAHSMN1; SMN2F10MEN1KMT2A
SCHEMBL5506699 0.88 F10 (0.38) FAAHTRPV1F10KMT2AHTT
SCHEMBL5506981 0.88 F10 (0.47) FAAHTRPV1SMN1; SMN2F10MEN1

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