SCHEMBL3323867

SCHEMBL3323867

Brc1ccc(N2CCC(Cc3ccccc3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
STAT3 P40763 2/20 0.54
LMNA P02545 2/20 0.54
TNF P01375 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
TSHR P16473 2/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
CCR3 P51677 2/20 0.48
PDE10A Q9Y233 1/20 0.47
CHRM4 P08173 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL16589254 0.83 TSHR (0.49) SMN1; SMN2STAT3LMNATNFNOD2
SCHEMBL21909740 0.83 MAP4K4 (0.47) SMN1; SMN2STAT3LMNATNFNOD2
SCHEMBL6235764 0.80 SMO (0.58) SMN1; SMN2STAT3LMNATNFNOD2
SCHEMBL10107366 0.80 AVPR1A (0.55) SMN1; SMN2STAT3LMNATNFNOD2
SCHEMBL2118784 0.80 PDE10A (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13059662 0.80 PDE10A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26077359 0.80 PDE10A (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22117672 0.78 GRIN2B (0.51) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL941899 0.78 SLC6A2 (0.79) SMN1; SMN2LMNASLC6A2SLC6A4TSHR
SCHEMBL3619267 0.77 ALDH1A1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120321533-A1 CATALYST ALMQVIST FREDRIK (SE) 2012-12-20 US disclosed
US-20120321533-A1 CATALYST ALMQVIST FREDRIK (SE) 2012-12-20 US disclosed
US-20120321533-A1 CATALYST ALMQVIST FREDRIK (SE) 2012-12-20 US disclosed
US-20100119424-A1 CATALYST ALMQUEST AB (SE) 2010-05-13 US disclosed
US-20100119424-A1 CATALYST ALMQUEST AB (SE) 2010-05-13 US disclosed
US-20100119424-A1 CATALYST ALMQUEST AB (SE) 2010-05-13 US disclosed
EP-2152410-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS Nordic chemquest Aktiebolag (SE) 2010-02-17 EP disclosed
EP-1994983-A1 Catalyst containing covalently bonded formate groups and Pd(0) and process for its obtention Almquest AB (SE) 2008-11-26 EP disclosed
EP-1994983-A1 Catalyst containing covalently bonded formate groups and Pd(0) and process for its obtention Almquest AB (SE) 2008-11-26 EP disclosed
WO-2008138938-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS NORDIC CHEMQUEST AB (SE) 2008-11-20 WO disclosed
WO-2008138938-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS NORDIC CHEMQUEST AB (SE) 2008-11-20 WO disclosed