SCHEMBL2911873

SCHEMBL2911873

O=C(O)Cc1ccc(C[N+]23CCN(CC2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
AKR1B1 P15121 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
ABCC4 O15439 1/20 0.43
PTGS1 P23219 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.42
NSD2 O96028 1/20 0.42
GRK2 P25098 1/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
QPCT Q16769 1/20 0.41
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
ALDH1A1 P00352 3/20 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
Bromide SCHEMBL3874382 0.98 CA2 (0.44) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL833000 0.83 HIF1A (0.43) CA2HIF1AHRH3
SCHEMBL2912607 0.79 CHKA (0.53) CA2CAMK2AAKR1B1LMNAGAA
Bromide SCHEMBL3874747 0.78 CHKA (0.55) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL840566 0.77 HIF1A (0.59) HIF1A
Water SCHEMBL16037174 0.76 HIF1A (0.57) HIF1A
SCHEMBL2911826 0.72 MAPT (0.42) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL13714805 0.72 LMNA (0.43) LMNAALDH1A1HPGDMAPT
SCHEMBL69614 0.72 CA2 (0.79) CA2CAMK2AAKR1B1LMNAGAA
Bromide SCHEMBL3874702 0.71 MAPT (0.41) CA2CAMK2AAKR1B1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517892-B1 RING-SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2010-08-25 EP disclosed
EP-1517892-A1 RING-SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-03-30 EP disclosed
WO-2004000804-A1 RING-SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-31 WO disclosed