SCHEMBL6990085

SCHEMBL6990085

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
ALOX5 P09917 1/20 0.40
LTA4H P09960 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38

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
SCHEMBL9039345 0.85 ALOX5 (0.42) SMN1; SMN2GAAALOX5NPC1RAB9A
SCHEMBL9041380 0.84 TP53 (0.42) SMN1; SMN2GAAALOX5NPC1RAB9A
SCHEMBL9039948 0.83 SMN1; SMN2 (0.40) SMN1; SMN2GAAALOX5NPC1RAB9A
SCHEMBL9039541 0.82 ALOX5 (0.43) SMN1; SMN2GAAALOX5LTA4HNPC1
SCHEMBL6988130 0.81 TSHR (0.56) TSHR
SCHEMBL6988751 0.80 ALOX5 (0.49) SMN1; SMN2ALOX5LTA4H
SCHEMBL7002275 0.75 SMN1; SMN2 (0.40) SMN1; SMN2ALOX5LTA4HNPC1RAB9A
SCHEMBL13222147 0.74 KDM4E (0.54) GAA
SCHEMBL5160927 0.73 RAB9A (0.49) SMN1; SMN2GAANPC1RAB9ATSHR
SCHEMBL31717390 0.72 MMP2 (0.45) GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0551527-B1 PYRROLOAZEPINE DERIVATIVE SUNTORY LTD (JP) 2003-04-02 EP disclosed
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-5397780-A Antiserotonine, hypotensive, congestive heart failure SUNTORY LIMITED (JP) 1995-03-14 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
EP-0551527-A1 PYRROLOAZEPINE DERIVATIVE SUNTORY LIMITED (JP) 1993-07-21 EP 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