SCHEMBL5040295

SCHEMBL5040295

CCCCNC(=O)Oc1cc(-c2csc(C3CCCCC3)n2)n(CC2CCCCC2)c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNM1L O00429 2/20 0.36
ACHE P22303 3/20 0.35
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGLL Q99685 1/20 0.33
FAAH O00519 3/20 0.33
CTSK P43235 2/20 0.33
HPGD P15428 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
SCHEMBL5047187 0.87 HDAC3 (0.36) ACHEALDH1A1HSD17B10MGLLCTSK
SCHEMBL5044496 0.85 ATP4A (0.37) MGLLCTSK
SCHEMBL5044606 0.85 HTR2A (0.44) DNM1LHPGD
SCHEMBL5047889 0.85 MGLL (0.36) MGLLCTSK
SCHEMBL5043850 0.84 NCEH1 (0.41) ALDH1A1HSD17B10FAAHCTSK
SCHEMBL5044102 0.84 MAPT (0.40) ALDH1A1HPGD
SCHEMBL5047653 0.84 ATP4A (0.38) ACHEMGLL
SCHEMBL5040330 0.84 NTMT1 (0.40) MGLLFAAH
SCHEMBL5048696 0.84 CDC25A (0.43) ALDH1A1MGLLFAAHHPGD
SCHEMBL5047174 0.83 CNR1 (0.40)

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 1 patent. 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 claimed