SCHEMBL551111

SCHEMBL551111

CC(=O)Nc1ccc(N2CCCC3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALK Q9UM73 2/20 0.38
S1PR1 P21453 1/20 0.38
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
EML4 Q9HC35 1/20 0.36
TSHR P16473 1/20 0.36
NPY2R P49146 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
SCHEMBL2699038 1.00 MAPT (0.40) MAPTKDM4EALDH1A1ALKS1PR1
SCHEMBL550881 1.00 MAPT (0.40) MAPTKDM4EALDH1A1ALKS1PR1
SCHEMBL2699036 1.00 MAPT (0.40) MAPTKDM4EALDH1A1ALKS1PR1
SCHEMBL551112 1.00 MAPT (0.40) MAPTKDM4EALDH1A1ALKS1PR1
SCHEMBL550880 1.00 MAPT (0.40) MAPTKDM4EALDH1A1ALKS1PR1
SCHEMBL2699415 0.94 KDM4E (0.43) MAPTKDM4EALDH1A1S1PR1CYP2C9
SCHEMBL549102 0.94 KDM4E (0.43) MAPTKDM4EALDH1A1S1PR1CYP2C9
SCHEMBL2704571 0.94 KDM4E (0.43) MAPTKDM4EALDH1A1S1PR1CYP2C9
SCHEMBL2697960 0.92 ALK (0.39) MAPTALKS1PR1CYP2C9EML4
SCHEMBL5930343 0.92 ALK (0.39) MAPTALKS1PR1CYP2C9EML4

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
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed