SCHEMBL4965875

SCHEMBL4965875

NC1(C(=O)O)CCCCC1I

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.40
GRM3 Q14832 4/20 0.40
ARG1 P05089 3/20 0.40
ARG2 P78540 2/20 0.40
GRM8 O00222 2/20 0.40
GRM6 O15303 2/20 0.40
GRM1 Q13255 3/20 0.35
GRM5 P41594 2/20 0.35
GRM4 Q14833 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
MTOR P42345 1/20 0.34
PLCB1 Q9NQ66 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL181380 0.85
SCHEMBL8443338 0.77 GRM2 (0.41) GRM2GRM3ARG1ARG2GRM8
SCHEMBL4835740 0.77 SLC6A4 (0.47) GRM2GRM3ARG1ARG2GRM8
SCHEMBL8438917 0.77 GRM2 (0.41) GRM2GRM3ARG1ARG2GRM8
SCHEMBL8441724 0.77 GRM2 (0.41) GRM2GRM3ARG1ARG2GRM8
SCHEMBL7135246 0.77 GRM2 (0.46) GRM2GRM3ARG1ARG2GRM8
SCHEMBL4835859 0.77 SLC6A4 (0.47) GRM2GRM3ARG1ARG2GRM8
SCHEMBL2939527 0.77 GRM2 (0.46) GRM2GRM3ARG1ARG2GRM8
SCHEMBL22415975 0.77 GRM2 (0.41) GRM2GRM3ARG1ARG2GRM8
SCHEMBL8440792 0.77 GRM2 (0.41) GRM2GRM3ARG1ARG2GRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904100-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS Pfizer Limited (GB) 2008-04-02 EP disclosed
WO-2007007162-A1 NEW COMBINATION OF ANTI-MADCAM ANTIBODY AND ANTIFIBROTIC CASPASE INHIBITOR TO TREAT LIVER FIBROSIS PFIZER LIMITED (GB) 2007-01-18 WO disclosed