SCHEMBL5564193

SCHEMBL5564193

Cc1cc(NC(=O)C2(NC(=O)Oc3ccc(Cl)s3)CCOC2)ccc1N1CCOCCN1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.39
FAAH O00519 1/20 0.39
F10 P00742 13/20 0.38
GAA P10253 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.33
G6PD P11413 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 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
SCHEMBL6454187 0.87 F10 (0.47) F10MAPTALDH1A1HTTMEN1
SCHEMBL6454183 0.81 F10 (0.45) F10MAPTSMN1; SMN2NPC1NFKB1
SCHEMBL5567162 0.78 FAAH (0.36) TRPV1FAAHMAPTSMN1; SMN2NPC1
SCHEMBL5502455 0.77 F10 (0.42) TRPV1FAAHF10GAA
SCHEMBL5506302 0.76 F10 (0.37) TRPV1FAAHF10GAAALDH1A1
SCHEMBL5513037 0.76 F10 (0.37) TRPV1FAAHF10GAA
SCHEMBL5536648 0.75 F10 (0.38) TRPV1FAAHF10GAAMAPT
SCHEMBL5509110 0.75 F10 (0.38) TRPV1FAAHF10GAA
SCHEMBL5532364 0.74 F10 (0.31) TRPV1FAAHF10MAPTSMN1; SMN2
SCHEMBL5499237 0.74 F10 (0.36) TRPV1FAAHF10GAA

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-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed