SCHEMBL7845952

SCHEMBL7845952

O=C1COC(=O)N1CCCCOc1cccn2ccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.36
DRD2 P14416 3/20 0.32
HTR2A P28223 2/20 0.32
MCHR1 Q99705 1/20 0.32
KCNH2 Q12809 2/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL7842563 0.80 ALDH1A1 (0.42) SSTR4TSHRMEN1KMT2AALDH1A1
SCHEMBL7845753 0.79 NPC1 (0.40) DRD2HTR2AMCHR1KCNH2CHRM1
SCHEMBL7844901 0.76 ALDH1A1 (0.43) SSTR4TSHRMEN1KMT2AALDH1A1
SCHEMBL3615320 0.75 SSTR4 (0.39) SSTR4TSHRMEN1KMT2ALMNA
SCHEMBL2458779 0.74 TDP1 (0.55) HTR2AMEN1KMT2ALMNAHTR1B
SCHEMBL10647032 0.72 SSTR4 (0.41) SSTR4MCHR1MEN1KMT2ALMNA
SCHEMBL7846294 0.72 MGLL (0.34) SSTR4PPARG
SCHEMBL7846295 0.72 MGLL (0.34) SSTR4PPARG
Hydrochloric Acid SCHEMBL7845735 0.71 MGLL (0.34) SSTR4PPARG
SCHEMBL7845044 0.71 MGLL (0.35) MCHR1KCNH2PPARG

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-0767790-B1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5840732-A ANTIDIABETIC AGENTS, AUTOIMMUNE DISEASES OR IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 1998-11-24 US disclosed
EP-0767790-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-16 EP disclosed
WO-1995035296-A1 CONDENSED IMIDAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-28 WO disclosed