SCHEMBL6988751

SCHEMBL6988751

CCOC(=O)CCN(Cc1ccccc1)C(=O)c1ccc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PKM P14618 3/20 0.47
LTA4H P09960 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIN1 Q13526 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42

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 0.86 ALOX5 (0.42) ALOX5SMN1; SMN2
SCHEMBL9041380 0.85 TP53 (0.42) ALOX5PKMSMN1; SMN2
SCHEMBL6993125 0.83 TSHR (0.50) PKM
SCHEMBL9039541 0.83 ALOX5 (0.43) ALOX5PKMLTA4HSMN1; SMN2
SCHEMBL6990085 0.80 SMN1; SMN2 (0.43) ALOX5LTA4HSMN1; SMN2
SCHEMBL2224578 0.78 SMN1; SMN2 (0.54) ALOX5LTA4HSMN1; SMN2TRPM8
SCHEMBL20347975 0.78 REN (0.58) ALOX5LTA4HSMN1; SMN2TRPM8
SCHEMBL9039948 0.77 SMN1; SMN2 (0.40) ALOX5SMN1; SMN2
SCHEMBL2226376 0.76 SMN1; SMN2 (0.51) ALOX5LTA4HSMN1; SMN2
SCHEMBL7203749 0.75 TSHR (0.45) PKM

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