SCHEMBL8009519

SCHEMBL8009519

CSC(=C1CCC2CC=CC=C2C1=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR119 Q8TDV5 6/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
DDB1 Q16531 5/20 0.36
CRBN Q96SW2 5/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NAMPT P43490 1/20 0.34

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
SCHEMBL8242387 0.68 MAPT (0.44) MAPTTHRBKDM4EGPR119ALDH1A1
SCHEMBL5556528 0.67 MAPT (0.47) MAPTTHRBKDM4EGPR119ALDH1A1
SCHEMBL30900387 0.65 KDM4E (0.34) MAPTTHRBKDM4EGPR119ALDH1A1
SCHEMBL16359587 0.63 ATM (0.35) MAPTTHRBKDM4EGPR119ALDH1A1
SCHEMBL18071798 0.62 MAPT (0.40) MAPTTHRBKDM4EGPR119ALDH1A1
SCHEMBL7078391 0.62 GPR119 (0.37) MAPTTHRBKDM4EGPR119ALDH1A1
SCHEMBL18294 0.62 USP2 (0.69) MAPTGPR119ALDH1A1HTTSMN1; SMN2
SCHEMBL698803 0.62 USP2 (0.69) MAPTGPR119ALDH1A1HTTSMN1; SMN2
SCHEMBL24719928 0.61 USP2 (0.51) MAPTTHRBKDM4EGPR119ALDH1A1
SCHEMBL7135080 0.61

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
US-6080745-A Fused tricyclic heteroaromatic derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME LIMITED (GB) 2000-06-27 US disclosed
EP-0724572-B1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 1998-12-16 EP disclosed
EP-0724572-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1996-08-07 EP disclosed
WO-1995007893-A1 FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1995-03-23 WO disclosed