SCHEMBL7701165

SCHEMBL7701165

COc1ccc(N2Cc3ccccc3C2=O)cc1OC(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
PKM P14618 3/20 0.50
MCHR1 Q99705 2/20 0.49
PIK3CG P48736 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD1 P21728 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL8711302 0.89 HTR2C (0.44) HTR2CNPC1RAB9APKMMCHR1
SCHEMBL7696591 0.89 MCHR1 (0.49) HTR2CNPC1RAB9APKMMCHR1
SCHEMBL7698181 0.89 MCHR1 (0.49) HTR2CNPC1RAB9APKMMCHR1
SCHEMBL8707222 0.89 MCHR1 (0.45) HTR2CNPC1RAB9APKMMCHR1
SCHEMBL7694961 0.87 MCHR1 (0.47) HTR2CNPC1RAB9APKMMCHR1
SCHEMBL8710747 0.87 MCHR1 (0.48) HTR2CMCHR1PDE4APDE4BPDE4C
SCHEMBL7695024 0.84 MCHR1 (0.46) HTR2CNPC1RAB9AMCHR1SMN1; SMN2
SCHEMBL8707494 0.84 MCHR1 (0.46) HTR2CMCHR1PIK3CGSMN1; SMN2TP53
SCHEMBL8713921 0.84 MCHR1 (0.46) HTR2CNPC1RAB9AMCHR1PIK3CG
SCHEMBL7692652 0.84 NR1H3 (0.60) MCHR1KMT2APDE4APDE4BPDE4C

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
WO-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed