SCHEMBL6180187

SCHEMBL6180187

COC(=O)CCc1cnc(CCC(C)CNC(=O)OCc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP1 P29466 1/20 0.38
KAT2B Q92831 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6174777 0.81 ATM (0.41) ATMSMN1; SMN2L3MBTL1HTTTDP1
SCHEMBL6178021 0.78 CYP3A4 (0.41) ATMSMN1; SMN2MAPK1HTTTDP1
SCHEMBL6987539 0.75 MMP2 (0.45) ATMSMN1; SMN2MAPK1LMNA
SCHEMBL2723527 0.74 LMNA (0.52) ATMSMN1; SMN2L3MBTL1HTTLMNA
SCHEMBL6180184 0.74 CTSK (0.49) ATM
SCHEMBL6940690 0.73 HTT (0.59) SMN1; SMN2HTTLMNA
SCHEMBL6404796 0.73 HTT (0.59) SMN1; SMN2HTTLMNA
SCHEMBL7164316 0.72 MAPK1 (0.45) ATMSMN1; SMN2MAPK1HTTLMNA
SCHEMBL18086889 0.72 CTSK (0.55) SMN1; SMN2L3MBTL1HTTLMNAMAPT
SCHEMBL6943800 0.72 HSD17B10 (0.50) SMN1; SMN2L3MBTL1HTTLMNAMAPT

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-1091943-B1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PROD INC (US) 2005-11-30 EP disclosed
US-6355662-B1 PEPTIDE AND NONPEPTIDES AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS PFIZER INC 2002-03-12 US disclosed
US-6306887-B1 AROMATIC UREAS, CARBAMATES AND TRIAMINONITRILES AND HETEROCYCLIC COMPOUNDS PFIZER INC 2001-10-23 US disclosed
EP-1091943-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2001-04-18 EP disclosed
WO-2000000477-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2000-01-06 WO disclosed