SCHEMBL8557714

SCHEMBL8557714

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.37
NPSR1 Q6W5P4 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SERPINE1 P05121 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL8556603 1.00 HCRTR2 (0.37) HCRTR2NPSR1BRD4CREBBPGFER
SCHEMBL8556600 1.00 HCRTR2 (0.37) HCRTR2NPSR1BRD4CREBBPGFER
SCHEMBL8557886 0.90 HCRTR2 (0.38) HCRTR2NPSR1BRD4CREBBPL3MBTL1
SCHEMBL8554401 0.90 HCRTR2 (0.38) HCRTR2NPSR1BRD4CREBBPL3MBTL1
SCHEMBL8559540 0.90 HCRTR2 (0.38) HCRTR2NPSR1BRD4CREBBPL3MBTL1
SCHEMBL8554399 0.90 HCRTR2 (0.38) HCRTR2NPSR1BRD4CREBBPL3MBTL1
SCHEMBL8559537 0.90 HCRTR2 (0.38) HCRTR2NPSR1BRD4CREBBPL3MBTL1
SCHEMBL8554438 0.81 NPSR1 (0.33) HCRTR2NPSR1KDM4ELMNAGLA
SCHEMBL8557790 0.79 NPSR1 (0.34) NPSR1BRD4CREBBPKDM4ELMNA
SCHEMBL8556516 0.79 NPSR1 (0.34) NPSR1BRD4CREBBPKDM4ELMNA

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