SCHEMBL5043686

SCHEMBL5043686

CCCCNC(=O)c1cc(-c2csc(COc3ccc(OC)cc3)n2)n(CC2CCCCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 6/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
SLC6A4 P31645 4/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HSP90AA1 P07900 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
AKR1B10 O60218 1/20 0.38

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
SCHEMBL5045076 0.89 MAPT (0.40) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL5047146 0.89 CDC25A (0.45) HPGDALDH1A1MAPTKMT2ANPSR1
SCHEMBL5039634 0.88 MAPT (0.39) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL5046850 0.88 MAPT (0.46) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL5043875 0.88 ALDH1A1 (0.47) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL5047852 0.87 PPARD (0.45) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL5044108 0.87 MAPT (0.40) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL5048731 0.86 ALDH1A1 (0.46) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL5048559 0.86 ALDH1A1 (0.47) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL5047587 0.85 ALDH1A1 (0.60) HPGDALDH1A1MAPTKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed