SCHEMBL28752147

SCHEMBL28752147

Nc1cccc(C(=O)NCc2ccc(N(C=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.45
CNR2 P34972 1/20 0.41
TACR1 P25103 5/20 0.40
DHFR P00374 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
MAPK14 Q16539 2/20 0.37
BACE1 P56817 1/20 0.36
CNR1 P21554 1/20 0.36
HDAC2 Q92769 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 1/20 0.36
PPARA Q07869 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
SCHEMBL27583426 0.87 PDE2A (0.43) PDE2ACNR2TACR1HPGDALDH1A1
SCHEMBL28752149 0.79 PDE2A (0.48) PDE2ACNR2TACR1HPGDCA1
SCHEMBL6799904 0.72 MTTP (0.50) PDE2APPARA
SCHEMBL10077688 0.71 HPGD (0.68) DHFRHPGDALDH1A1CA1CA2
SCHEMBL7609452 0.69 PPARG (0.56) MAPK14
SCHEMBL7039775 0.67 HDAC1 (0.42) TACR1MAPK14
SCHEMBL27583427 0.67 PDE2A (0.46) PDE2ACNR2TACR1HPGDCA1
SCHEMBL7037179 0.66 PPARG (0.45) MAPK14
SCHEMBL7041100 0.66 GSK3B (0.46) TACR1
SCHEMBL8212310 0.65 DDT (0.53) DHFR

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
CN-1478077-A Benzamide compounds as APO B secretion inhibitors ����ҩƷ��ҵ��ʽ���� 2004-02-25 CN disclosed