SCHEMBL8556610

SCHEMBL8556610

Cc1cc2c(c3c1NC(=O)C3(C)C)OC(C)(CNC(=O)OC(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
DDB1 Q16531 2/20 0.31
CRBN Q96SW2 2/20 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
SCHEMBL8554438 0.89 NPSR1 (0.33) HCRTR2ALDH1A1MAPTHPGDTSHR
SCHEMBL8554401 0.80 HCRTR2 (0.38) HCRTR2ALDH1A1MAPTHPGDTSHR
SCHEMBL8554399 0.80 HCRTR2 (0.38) HCRTR2ALDH1A1MAPTHPGDTSHR
SCHEMBL8557886 0.80 HCRTR2 (0.38) HCRTR2ALDH1A1MAPTHPGDTSHR
SCHEMBL8555109 0.80 EPHX2 (0.34) ALDH1A1MAPTHPGDTSHRLMNA
SCHEMBL8553009 0.77 HTT (0.33) KMT2A
Hydrochloric Acid SCHEMBL8555901 0.75 HTT (0.32) KMT2A
SCHEMBL8558163 0.73 MAPT (0.33) ALDH1A1MAPTHPGDTSHRLMNA
SCHEMBL8558157 0.73 MAPT (0.33) ALDH1A1MAPTHPGDTSHRLMNA
SCHEMBL8558155 0.73 MAPT (0.33) ALDH1A1MAPTHPGDTSHRLMNA

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-0653426-B1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA CO (JP) 1998-07-22 EP disclosed
US-5510366-A INOTROPIC, ANTIARRHYMTHMIA AGENTS, VASODILATORS KOWA CO., LTD. (JP) 1996-04-23 US disclosed
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed