SCHEMBL4023871

SCHEMBL4023871

CNC(=O)CCc1ccc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
MPO P05164 1/20 0.40
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MAPK1 P28482 1/20 0.38
FFAR1 O14842 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
AKT3 Q9Y243 1/20 0.36
NR4A2 P43354 1/20 0.36
P2RX7 Q99572 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL26803733 0.81 DAO (0.44) DAOHDAC1FFAR1HTR2AHTR2C
SCHEMBL2786582 0.81 CYP11B1 (0.48) DAOMAPK1FFAR1HTR2AHTR2C
SCHEMBL29009736 0.80 FFAR1 (0.55) DAOFFAR1HTR2AHTR2CKCNH2
SCHEMBL29404687 0.80 FFAR1 (0.55) DAOFFAR1HTR2AHTR2CKCNH2
SCHEMBL27365024 0.75 RAB9A (0.55) DAOFFAR1HPGD
SCHEMBL3299826 0.75 CYP4F2 (0.46) DAOPOLBHPGD
SCHEMBL4749498 0.74 ACACB (0.54) DAOHPGDMTNR1AMTNR1B
SCHEMBL12228279 0.74 HPGD (0.56) FFAR1P2RX7HPGD
SCHEMBL3937280 0.73 FFAR1 (0.45) DAOHDAC1HDAC6MAPK1FFAR1
SCHEMBL12851363 0.73 HRH3 (0.56) MAPK1HPGD

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-2009095712-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-06 WO disclosed