SCHEMBL8102908

SCHEMBL8102908

COc1cc(F)cc2c(OC3CCN(Cc4ccccc4C)CC3)cc(C)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.45
ACHE P22303 2/20 0.43
KMT2A Q03164 3/20 0.41
PDE4B Q07343 1/20 0.40
SCN1A P35498 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL13945379 0.89 EHMT2 (0.47) EHMT2ACHEKMT2ASCN1ASCN8A
SCHEMBL4241073 0.88 CHRM4 (0.42) ACHEPDE4B
SCHEMBL4245783 0.88 CCR3 (0.45) KMT2APDE4BMEN1
SCHEMBL4249178 0.87 CCR3 (0.42) EHMT2KMT2APDE4BMEN1
SCHEMBL4241800 0.84 PDE4B (0.37) EHMT2ACHEKMT2APDE4BMEN1
SCHEMBL8095680 0.77 PDE4B (0.46) EHMT2ACHEKMT2APDE4BSCN1A
SCHEMBL8102582 0.76 DPP4 (0.49) ACHEKMT2AMEN1DRD4
SCHEMBL8100440 0.76 PDE4B (0.35) EHMT2ACHEKMT2APDE4BSCN1A
SCHEMBL8094318 0.75 SMN1; SMN2 (0.51) EHMT2ACHEKMT2ASCN1ASCN8A
SCHEMBL5529538 0.74 PDE4B (0.46) EHMT2ACHEKMT2APDE4BSCN1A

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-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 WO disclosed