SCHEMBL8862514

SCHEMBL8862514

O=C(N[C@@H](CO)C(=O)O)C(Cc1c[nH]c2ccccc12)NOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.59
ECE1 P42892 4/20 0.58
LTA4H P09960 1/20 0.56
IL1RN P18510 1/20 0.56
ERAP2 Q6P179 1/20 0.56
ERAP1 Q9NZ08 1/20 0.56
MME P08473 1/20 0.55
NMBR P28336 1/20 0.55
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54

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
SCHEMBL8862510 1.00 ACE (0.59) ACEECE1LTA4HIL1RNERAP2
SCHEMBL27455388 1.00 ACE (0.59) ACEECE1LTA4HIL1RNERAP2
SCHEMBL5379545 0.89 ALOX15 (0.59) ACEECE1LTA4HNMBRMMP2
SCHEMBL5379543 0.89 ALOX15 (0.59) ACEECE1LTA4HNMBRMMP2
SCHEMBL14595066 0.81 NMBR (0.76) ACEECE1MMENMBR
SCHEMBL30311024 0.80 ACE (0.70) ACEECE1
SCHEMBL29384133 0.80 KDM4E (0.65) ACEECE1ERAP2
SCHEMBL31326046 0.80 NMBR (0.74) ACEECE1LTA4HMMENMBR
SCHEMBL5583835 0.79 KDM4E (0.68) ACEECE1ERAP2
SCHEMBL21641803 0.79 KDM4E (0.68) ACEECE1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 WO disclosed