SCHEMBL8711328

SCHEMBL8711328

COc1ccc(N2C(=O)c3ncccc3C2C)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
SHMT2 P34897 1/20 0.43
QPCT Q16769 1/20 0.41
HTR7 P34969 1/20 0.40
MAPT P10636 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HSD11B1 P28845 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4B Q07343 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
METAP1 P53582 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.37
GFER P55789 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL8707491 0.86 HTR2C (0.49) HTR2CHTR2BPDE4B
SCHEMBL8713108 0.80 SHMT2 (0.59) HTR2CHTR2BSHMT2QPCTMAPT
SCHEMBL8713534 0.75 LMNA (0.48) HTR2CHTR2BSHMT2QPCTHTR7
SCHEMBL8714452 0.70 L3MBTL1 (0.50) SHMT2CYP2C9NR1H2NR1H3L3MBTL1
SCHEMBL7696958 0.69 PDE4B (0.49) HTR2CHTR2BQPCTPDE4B
SCHEMBL8711923 0.69 QPCT (0.52) SHMT2QPCTMAPTNR1H2NR1H3
SCHEMBL8714432 0.69 HTR2C (0.49) HTR2CHTR2BQPCTPDE4BNR1H2
SCHEMBL8711866 0.68 HTR2C (0.53) HTR2CHTR2BPDE4B
SCHEMBL8713095 0.68 PDE4B (0.47) HTR2CHTR2BQPCTPDE4BNR1H2
SCHEMBL8707308 0.68 RAB9A (0.69) QPCTMAPTNR1H2NR1H3LMNA

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