SCHEMBL8201151

SCHEMBL8201151

C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.80
MMP8 P22894 3/20 0.80
MMP2 P08253 1/20 0.69
TACR1 P25103 1/20 0.62
ACE P12821 2/20 0.61
ECE1 P42892 8/20 0.60
KDM4E B2RXH2 1/20 0.60
APAF1 O14727 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MMP1 P03956 1/20 0.58
MMP3 P08254 1/20 0.58

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
SCHEMBL8850370 1.00 MMP9 (0.80) MMP9MMP8MMP2TACR1ACE
SCHEMBL8201153 1.00 MMP9 (0.80) MMP9MMP8MMP2TACR1ACE
SCHEMBL8481429 0.90 MMP9 (0.76) MMP9MMP8MMP2TACR1ACE
SCHEMBL8198380 0.87 MMP9 (0.63) MMP9MMP8MMP2TACR1ACE
SCHEMBL8198377 0.87 MMP9 (0.63) MMP9MMP8MMP2TACR1ACE
SCHEMBL7677247 0.87 MMP9 (0.74) MMP9MMP8MMP2ACEECE1
SCHEMBL3787557 0.85 MMP9 (0.72) MMP9MMP8MMP2ACEMMP1
SCHEMBL7064069 0.85 MMP9 (0.68) MMP9MMP8MMP2ACEECE1
SCHEMBL4351102 0.85 MMP2 (0.84) MMP9MMP8MMP2ECE1MMP1
SCHEMBL29458410 0.85 MMP2 (0.84) MMP9MMP8MMP2ECE1MMP1

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-1000930-A2 Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 2000-05-17 EP claimed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US claimed
EP-0655055-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-05-31 EP claimed
WO-1994004494-A1 TACHYKININ ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-03-03 WO claimed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed