SCHEMBL6958416

SCHEMBL6958416

COC(=O)CC(N)C(=O)CNCc1cc(C(=O)O)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
DPP4 P27487 2/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
KMT2A Q03164 4/20 0.34
ACLY P53396 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
CASR P41180 1/20 0.32
SLC7A5 Q01650 1/20 0.32
PTGER4 P35408 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL6958407 1.00 MRGPRX4 (0.37) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL6674115 0.78 LMNA (0.38) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL6674119 0.78 LMNA (0.38) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL6954029 0.77 CASP1 (0.44)
SCHEMBL6954041 0.77 CASP1 (0.44)
SCHEMBL8178607 0.74 LPAR1 (0.37) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL8178611 0.74 LPAR1 (0.37) MRGPRX4LMNAMAPK1HTTRAB9A
SCHEMBL4022449 0.70 ATM (0.43) LMNAKMT2AKDM4EMEN1
SCHEMBL4022451 0.70 ATM (0.43) LMNAKMT2AKDM4EMEN1
SCHEMBL4028700 0.70 EPHX2 (0.47) MRGPRX4LMNAMAPK1HTTRAB9A

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-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed