SCHEMBL1826569

SCHEMBL1826569

Cc1cccc(-c2ccccc2)c1C(=O)N1CC[C@@H](Nc2nc3ccccc3s2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.43
HCRTR1 O43613 6/20 0.43
HCRTR2 O43614 4/20 0.43
LMNA P02545 2/20 0.41
STAT3 P40763 1/20 0.41
SSTR5 P35346 2/20 0.41
CCR5 P51681 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
CLK1 P49759 1/20 0.40

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
SCHEMBL1826572 1.00 PDE10A (0.43) PDE10AHCRTR1HCRTR2LMNASTAT3
SCHEMBL1141579 0.83 HCRTR1 (0.48) PDE10AHCRTR1HCRTR2LMNASSTR5
SCHEMBL1141576 0.83 HCRTR1 (0.48) PDE10AHCRTR1HCRTR2LMNASSTR5
SCHEMBL14775828 0.80 PDE10A (0.44) PDE10ACCR5
SCHEMBL14775830 0.80 PDE10A (0.44) PDE10ACCR5
SCHEMBL1141112 0.76 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1141109 0.76 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL16538487 0.76 PDE10A (0.54) PDE10ASSTR5
SCHEMBL1838143 0.75 CCNK (0.42) CCR5
SCHEMBL4241757 0.75 HCRTR1 (0.51) HCRTR1HCRTR2LMNACLK1

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-2318367-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-05-11 EP disclosed
WO-2009133522-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-05 WO disclosed