SCHEMBL4433997

SCHEMBL4433997

O=C1c2ccccc2C(=O)N1CCc1nc2cccc(C(F)(F)F)c2nc1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 5/20 0.39
PDE10A Q9Y233 3/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
PGK1 P00558 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
SCHEMBL4429900 0.82 HSD11B1 (0.40) HSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL27802800 0.82 HSD11B1 (0.40) HSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL4442168 0.82 HSD11B1 (0.40) HSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL4173848 0.80 HSD11B1 (0.41) HSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL14047492 0.80 HSD11B1 (0.41) HSD11B1ALDH1A1KDM4EKMT2A
SCHEMBL15319751 0.76 PDE10A (0.44) ALDH1A1PDE10AMAPTPKMLMNA
SCHEMBL4174007 0.76 HSD11B1 (0.39) HSD11B1MAPTKMT2A
SCHEMBL27781199 0.76 HSD11B1 (0.37) HSD11B1KDM4E
SCHEMBL4177857 0.75 HSD11B1 (0.48) HSD11B1ALDH1A1PDE10AMAPTKDM4E
SCHEMBL4178180 0.73 HSD11B1 (0.39) HSD11B1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed