SCHEMBL8559540

SCHEMBL8559540

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.38
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
SERPINE1 P05121 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL8559537 1.00 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
SCHEMBL8557886 0.90 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
SCHEMBL8554401 0.90 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
SCHEMBL8554399 0.90 HCRTR2 (0.38) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
SCHEMBL8557714 0.90 HCRTR2 (0.37) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
SCHEMBL8556600 0.90 HCRTR2 (0.37) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
SCHEMBL8556603 0.90 HCRTR2 (0.37) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
Hydrochloric Acid SCHEMBL8557259 0.76
SCHEMBL8556610 0.71 HCRTR2 (0.33) HCRTR2BRD4CREBBPL3MBTL1SERPINE1
SCHEMBL8554438 0.70 NPSR1 (0.33) HCRTR2KDM4EMAPTNPSR1

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