SCHEMBL7481567

SCHEMBL7481567

O=C(O)CCc1cc(C2CCCN2C(=O)Cc2ccc(OCc3ccccc3)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.45
FFAR4 Q5NUL3 3/20 0.45
FAAH O00519 1/20 0.44
PARP1 P09874 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACE P12821 1/20 0.41
AADAT Q8N5Z0 1/20 0.41
YAP1 P46937 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
SPHK2 Q9NRA0 1/20 0.41

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
SCHEMBL7433472 0.93 CPT1A (0.42) FFAR1FFAR4AADATYAP1HRH3
SCHEMBL7435979 0.93 CPT1A (0.43) FFAR1FFAR4NPC1RAB9AHRH3
SCHEMBL7487553 0.93 FFAR1 (0.42) FFAR1FFAR4NPC1RAB9AAADAT
SCHEMBL7542862 0.93 CPT1A (0.42) FFAR1FFAR4FAAHPARP1NPC1
SCHEMBL7433078 0.93 FFAR1 (0.42) FFAR1FFAR4NPC1RAB9AAADAT
SCHEMBL7488778 0.92 FFAR1 (0.47) FFAR1FFAR4NPC1RAB9AAADAT
SCHEMBL7427523 0.91 NPC1 (0.49) FFAR1FFAR4NPC1RAB9A
SCHEMBL7484778 0.91 FFAR1 (0.45) FFAR1FFAR4NPC1RAB9AAADAT
SCHEMBL7434473 0.91 NPC1 (0.45) FFAR1PARP1NPC1RAB9A
SCHEMBL7432987 0.91 FFAR1 (0.41) FFAR1FFAR4NPC1RAB9AACE

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
CN-1413210-A Non-peptidyl inhibitors of VLA-4 dependent cell binding for the treatment of inflammation, autoimmune diseases and respiratory diseases PFIZER PROD INC (US) 2003-04-23 CN disclosed
EP-1244656-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2002-10-02 EP disclosed
WO-2001051487-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2001-07-19 WO disclosed