SCHEMBL2704571

SCHEMBL2704571

CC(=O)Nc1ccc(N2CCCC3(CCN(C4CCCCC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
S1PR1 P21453 1/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.38
HSD11B1 P28845 1/20 0.38
ALOX15 P16050 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
NPY2R P49146 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
SCHEMBL2699415 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL549102 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL2699036 0.94 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL550881 0.94 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL551112 0.94 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL2699038 0.94 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL550880 0.94 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL551111 0.94 MAPT (0.40) KDM4EALDH1A1HPGDHSD17B10S1PR1
SCHEMBL3701831 0.92 S1PR1 (0.39) S1PR1HSD11B1CYP2C9NPY2R
SCHEMBL2700830 0.92 S1PR1 (0.39) S1PR1HSD11B1CYP2C9NPY2R

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-2450351-A1 Lactam compounds and their use as pharmaceuticals Incyte Corporation (US) 2012-05-09 EP disclosed