SCHEMBL7992535

SCHEMBL7992535

COc1ccc2c(CCNc3nc(=O)cc(-c4ccncc4)[nH]3)c[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HTR2A P28223 2/20 0.46
IP6K1 Q92551 2/20 0.45
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
MAPT P10636 2/20 0.45
HTR6 P50406 1/20 0.44
MAPK1 P28482 4/20 0.44
HPGD P15428 1/20 0.44
USP2 O75604 7/20 0.43
CYP1A2 P05177 7/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2D6 P10635 7/20 0.43
CYP2C19 P33261 7/20 0.43
CLK4 Q9HAZ1 7/20 0.43
CYP2C9 P11712 5/20 0.43

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
SCHEMBL7990994 0.93 HTR2A (0.52) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL7978256 0.86 HTR2A (0.43) MTNR1AMTNR1BHTR2AMEN1KMT2A
SCHEMBL7993029 0.84 GPR84 (0.50) HTR2AMEN1KMT2AHTR6USP2
SCHEMBL7990813 0.81 GPR84 (0.43) MEN1KMT2AHTR6CDK2
SCHEMBL7996376 0.79 POLB (0.53) MTNR1AMTNR1BMEN1KMT2AMAPT
SCHEMBL7996288 0.76 MTNR1A (0.46) PTGDRMTNR1AMTNR1BCYP3A4CYP2D6
SCHEMBL12845688 0.75 MTNR1A (0.56) PTGDRMTNR1AMTNR1BHTR2AIP6K1
SCHEMBL7990800 0.72 GPR84 (0.49) KMT2AMAPK1HPGDCYP3A4CYP2C9
SCHEMBL5390245 0.71 PRKCA (0.43) MEN1KMT2AMAPTHPGDCLK4
SCHEMBL8048232 0.70 HTR2A (0.51) PTGDRMTNR1AMTNR1BHTR2AIP6K1

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