SCHEMBL7978256

SCHEMBL7978256

O=c1cc(-c2ccncc2)[nH]c(NCCc2c[nH]c3cc(F)ccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
GPR84 Q9NQS5 2/20 0.41
HTR6 P50406 3/20 0.40
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
MPO P05164 4/20 0.38
NOTUM Q6P988 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
VCP P55072 1/20 0.37
SLC6A4 P31645 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
SCHEMBL7993029 0.87 GPR84 (0.50) HTR2AGPR84HTR6HTR1AMEN1
SCHEMBL7992535 0.86 PTGDR (0.50) HTR2AHTR6MTNR1AMTNR1BMEN1
SCHEMBL7990813 0.81 GPR84 (0.43) GPR84HTR6HTR1AMEN1KMT2A
SCHEMBL7990994 0.80 HTR2A (0.52) HTR2AHTR1AMPONOTUMMTNR1A
SCHEMBL7978450 0.80 GPR84 (0.44) GPR84LMNA
SCHEMBL7996376 0.76 POLB (0.53) MTNR1AMTNR1BMEN1KMT2ASLC6A4
SCHEMBL12845710 0.74 HTR2A (0.52) HTR2AGPR84HTR6HTR1ADRD2
SCHEMBL7990800 0.74 GPR84 (0.49) GPR84KMT2ALMNAHPGD
SCHEMBL7993027 0.71 CA1 (0.40) MEN1KMT2A
SCHEMBL5390245 0.70 PRKCA (0.43) GPR84MEN1KMT2AHPGD

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-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO claimed