SCHEMBL8554401

SCHEMBL8554401

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 5/20 0.32
NPSR1 Q6W5P4 5/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 3/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
SERPINE1 P05121 1/20 0.31
RECQL P46063 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL8557886 1.00 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8554399 1.00 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8559540 0.90 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8559537 0.90 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8556603 0.90 HCRTR2 (0.37) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8556600 0.90 HCRTR2 (0.37) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8557714 0.90 HCRTR2 (0.37) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8556610 0.80 HCRTR2 (0.33) HCRTR2BRD4CREBBPL3MBTL1MAPT
SCHEMBL8558163 0.79 MAPT (0.33) BRD4CREBBPMAPTNPSR1KDM4E
SCHEMBL8558157 0.79 MAPT (0.33) BRD4CREBBPMAPTNPSR1KDM4E

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