SCHEMBL9039345

SCHEMBL9039345

CCOC(=O)CCN(CC)C(=O)c1ccc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL9041380 0.91 TP53 (0.42) ALOX5SMN1; SMN2GAARAB9ANPC1
SCHEMBL9039541 0.88 ALOX5 (0.43) ALOX5SMN1; SMN2GAARAB9ANPC1
SCHEMBL6988751 0.86 ALOX5 (0.49) ALOX5SMN1; SMN2
SCHEMBL6990085 0.85 SMN1; SMN2 (0.43) ALOX5SMN1; SMN2GAARAB9ANPC1
SCHEMBL9039965 0.83 TSHR (0.53) KDM4ETSHR
SCHEMBL9039948 0.82 SMN1; SMN2 (0.40) ALOX5SMN1; SMN2GAARAB9ANPC1
SCHEMBL3784364 0.81 HPGD (0.49) SMN1; SMN2RAB9ANPC1KDM4ETSHR
SCHEMBL9037903 0.73 TSHR (0.51) KDM4ETSHR
SCHEMBL13222147 0.73 KDM4E (0.54) GAAKDM4EPOLB
SCHEMBL27037027 0.73 NAMPT (0.39) SMN1; SMN2RAB9ANPC1KDM4ETSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441349-B1 Pyrroloazepine derivatives SUNTORY LTD (JP) 1996-01-03 EP disclosed
US-5416082-A Antiserotonine agents SUNTORY LIMITED (JP) 1995-05-16 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
US-5206239-A Cardiovascular disorders SUNTORY LIMITED (JP) 1993-04-27 US disclosed
EP-0441349-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1991-08-14 EP disclosed