SCHEMBL17082156

SCHEMBL17082156

O=C1N([C@H]2CC[C@@H](O)CC2)CC[C@@]12CCCN(c1cccc(F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.41
USP2 O75604 8/20 0.41
CYP1A2 P05177 8/20 0.41
CYP2C19 P33261 6/20 0.41
CYP2C9 P11712 5/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HIF1A Q16665 3/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 1/20 0.39
DOCK5 Q9H7D0 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP2D6 P10635 2/20 0.37
BPTF Q12830 1/20 0.36
FAAH O00519 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
SCHEMBL549214 1.00 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL4570125 1.00 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL17082155 1.00 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL550490 1.00 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL2702321 1.00 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL549215 1.00 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL4570126 1.00 CYP3A4 (0.41) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL550528 0.91 DOCK5 (0.40) CYP3A4USP2CYP1A2CYP2C19CYP2C9
SCHEMBL549770 0.89 HSD11B1 (0.38) HSD11B1
SCHEMBL550413 0.89 HSD11B1 (0.38) HSD11B1

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed