SCHEMBL8556519

SCHEMBL8556519

Cc1cc2c(c3c1NC(=S)C3(C)C)O[C@@H](CNC(=O)OC(C)(C)C)[C@H]2C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8557790 1.00 NPSR1 (0.34) NPSR1MAPTHPGDALDH1A1TSHR
SCHEMBL8556516 1.00 NPSR1 (0.34) NPSR1MAPTHPGDALDH1A1TSHR
SCHEMBL8558163 0.90 MAPT (0.33) NPSR1MAPTHPGDALDH1A1TSHR
SCHEMBL8558157 0.90 MAPT (0.33) NPSR1MAPTHPGDALDH1A1TSHR
SCHEMBL8558155 0.90 MAPT (0.33) NPSR1MAPTHPGDALDH1A1TSHR
SCHEMBL8560721 0.89 NPSR1 (0.33) NPSR1
SCHEMBL8557095 0.81 NPSR1 (0.35) NPSR1MAPTHPGDALDH1A1TSHR
SCHEMBL8557714 0.79 HCRTR2 (0.37) NPSR1MAPTHPGDBRD4CREBBP
SCHEMBL8556603 0.79 HCRTR2 (0.37) NPSR1MAPTHPGDBRD4CREBBP
SCHEMBL8556600 0.79 HCRTR2 (0.37) NPSR1MAPTHPGDBRD4CREBBP

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 2 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
EP-0653426-A1 Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same KOWA COMPANY, LTD. (JP) 1995-05-17 EP disclosed