SCHEMBL8201136

SCHEMBL8201136

O=C(O)NC(Cc1ccc2ccccc2c1)C(=O)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 5/20 0.69
MMP8 P22894 3/20 0.64
MMP9 P14780 2/20 0.64
MMP2 P08253 1/20 0.64
CTSB P07858 3/20 0.57
CTSS P25774 3/20 0.57
CTSL P07711 2/20 0.57
CTSK P43235 2/20 0.56
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
MME P08473 2/20 0.52
ACE P12821 2/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
ANPEP P15144 1/20 0.51
MMP1 P03956 2/20 0.51
CTNNB1 P35222 1/20 0.51
LCK P06239 1/20 0.48

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
SCHEMBL8201134 1.00 FCER2 (0.69) FCER2MMP8MMP9MMP2CTSB
SCHEMBL12354885 0.90 FCER2 (0.69) FCER2MMP8MMP9MMP2CTSB
SCHEMBL6021212 0.84 CTSB (0.62) FCER2MMP8MMP9MMP2CTSB
SCHEMBL5552696 0.84 CTSS (0.79) FCER2MMP8MMP9MMP2CTSB
SCHEMBL6020596 0.82 CTSB (0.70) FCER2MMP8MMP9MMP2CTSB
SCHEMBL7353133 0.82 FCER2 (0.57) FCER2MMP8MMP9MMP2CTSB
SCHEMBL7857865 0.82 FCER2 (0.60) FCER2MMP8MMP9MMP2CTSB
SCHEMBL7353158 0.82 FCER2 (0.57) FCER2MMP8MMP9MMP2CTSB
SCHEMBL6020170 0.82 CTSS (0.58) FCER2MMP8MMP9MMP2CTSB
SCHEMBL7448015 0.82 ALDH1A1 (0.68) FCER2MMP8MMP9MMP2PSMB1

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