SCHEMBL8708166

SCHEMBL8708166

COc1ccc(N2Cc3cc(N)ncc3C2=O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.48
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
PIK3CG P48736 1/20 0.45
MCHR1 Q99705 4/20 0.45
MIF P14174 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
POLB P06746 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
SCHEMBL8713013 0.88 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL8707868 0.85 HTR2C (0.43) HTR2CHTR2AHTR2BPIK3CGMCHR1
SCHEMBL8707421 0.79 HTR2C (0.46) HTR2CHTR2AHTR2B
SCHEMBL8708977 0.79 HTR2C (0.49) HTR2CHTR2AHTR2BPIK3CGMCHR1
SCHEMBL8707504 0.74 HTR2C (0.53) HTR2CHTR2AHTR2BPIK3CGMCHR1
SCHEMBL8710756 0.73 NPC1 (0.60) HTR2CPIK3CGMCHR1NPC1RAB9A
SCHEMBL7700465 0.72 PDE4B (0.44) HTR2CHTR2AHTR2BMCHR1
SCHEMBL8708038 0.72 HTR2C (0.53) HTR2CHTR2AHTR2BPIK3CGMCHR1
SCHEMBL7695248 0.72 HTR2C (0.50) HTR2CHTR2AHTR2BMCHR1
SCHEMBL19422995 0.71 LMNA (0.49) HTR2CHTR2AHTR2BMCHR1MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed