SCHEMBL7396204

SCHEMBL7396204

CC(C)(C)OC(=O)NC1Cc2ccccc2C1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.40
EPHX2 P34913 1/20 0.40
KDM1A O60341 2/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP13 P45452 1/20 0.39
MAOB P27338 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
BTK Q06187 2/20 0.37
DRD2 P14416 2/20 0.37
P2RX7 Q99572 1/20 0.37
ATM Q13315 1/20 0.37
PPARG P37231 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NAMPT P43490 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
SCHEMBL8651847 1.00 NPY5R (0.40) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL8653693 0.93 NPY5R (0.42) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL8656621 0.93 NPY5R (0.42) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL8653695 0.93 NPY5R (0.42) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL7329129 0.91 KMT2A (0.46) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL8652209 0.91 KMT2A (0.46) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL7335350 0.89 PPARA (0.46) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL7327712 0.89 PPARA (0.46) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL7328072 0.89 PPARA (0.46) NPY5REPHX2KDM1AKMT2AL3MBTL1
SCHEMBL8650717 0.89 NPC1 (0.41) EPHX2KMT2AL3MBTL1MAOBPPARG

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
EP-0711271-B1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-07 EP disclosed
EP-0711271-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004027-A1 AMINOINDANES AND RELATED COMPOUNDS USEFUL AS CALCIUM-CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed