SCHEMBL7464222

SCHEMBL7464222

Cc1ccc(COc2[c]ccc(-c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
MAOB P27338 5/20 0.41
MAPK1 P28482 1/20 0.39
GSTP1 P09211 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.38
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
MMP12 P39900 1/20 0.38
MEN1 O00255 1/20 0.38
MAOA P21397 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL7468357 0.89 AGXT (0.43) FFAR1MAOBGSTP1IDO1AGXT
SCHEMBL7465277 0.85 AGXT (0.41) MAOBGSTP1HTTKMT2AIDO1
SCHEMBL7295428 0.80 L3MBTL1 (0.44) MAOBMAPK1HTTSMN1; SMN2LMNA
SCHEMBL7459997 0.78 MAOB (0.52) MAOBHTTIDO1AGXTSMN1; SMN2
SCHEMBL5621755 0.78 RXRA (0.40) MAPK1NPC1KMT2AMEN1ALDH1A1
SCHEMBL6796911 0.78 MAOB (0.44) MAOBMAPK1NPC1HTTKMT2A
SCHEMBL7464303 0.77 MAOB (0.44) FFAR1MAOBIDO1AGXTMAOA
SCHEMBL13722701 0.77 FFAR4 (0.42) FFAR1MAOBNPC1KMT2AAGXT
SCHEMBL8007814 0.75 EGFR (0.43) GSTP1KMT2AAGXTMEN1ALDH1A1
SCHEMBL3973667 0.74 IDO1 (0.48) FFAR1GSTP1HTTKMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP claimed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO claimed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed