SCHEMBL8104004

SCHEMBL8104004

O=C(c1cccc(C(F)(F)F)c1)N1CCC(=NO)CC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
LMNA P02545 2/20 0.68
HPGD P15428 1/20 0.68
HSD11B1 P28845 2/20 0.55
RBP4 P02753 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MGLL Q99685 1/20 0.54
ABL1 P00519 1/20 0.52
BCR P11274 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
CES2 O00748 1/20 0.50
GRM5 P41594 1/20 0.47
P2RX7 Q99572 1/20 0.47

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
SCHEMBL12803049 0.86 HIF1A (0.55) POLBLMNAHPGDMEN1KMT2A
SCHEMBL2295165 0.85 LMNA (0.74) POLBLMNAHPGDHSD11B1RBP4
SCHEMBL11480218 0.81 HPGD (1.00) POLBLMNAHPGDHSD11B1RBP4
SCHEMBL1534279 0.81 HIF1A (0.50) POLBLMNAHPGDMGLLCYP3A4
SCHEMBL12959479 0.80 HIF1A (0.49) POLBLMNAHPGDMEN1KMT2A
SCHEMBL7581128 0.79 POLB (0.74) POLBLMNAHPGDHSD11B1RBP4
SCHEMBL13503960 0.79 POLB (0.74) POLBLMNAHPGDHSD11B1RBP4
SCHEMBL14223339 0.79 POLB (0.74) POLBLMNAHPGDHSD11B1RBP4
SCHEMBL8098770 0.78 LMNA (0.57) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL8094577 0.78 TRPA1 (0.54) POLBLMNAHPGDALDH1A1GAA

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-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed