SCHEMBL2901715

SCHEMBL2901715

COc1ccc(CN2CCCC(c3cc(-c4ccccc4)cc(C(CC(C)C)C(=O)O)c3C(F)(F)F)C2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTR2A P28223 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
S1PR4 O95977 2/20 0.39
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
CNR2 P34972 1/20 0.39
SLC6A1 P30531 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL28791102 0.88 ATM (0.41) HTR2AMEN1KMT2AS1PR1CNR2
SCHEMBL27894669 0.87 POLB (0.44) MEN1KMT2AS1PR1CNR2
SCHEMBL2915152 0.87 PSEN1 (0.45) HTR2AS1PR1S1PR5CNR2KDM4E
SCHEMBL2903465 0.86 CHRM4 (0.42) HTR2ACNR2
SCHEMBL27848935 0.83 PSEN1 (0.40) LMNAHTR2AMEN1KMT2AS1PR1
SCHEMBL2903682 0.83 PDE2A (0.41) S1PR1CNR2
SCHEMBL2903669 0.83 PSEN1 (0.39) S1PR1KDM4E
SCHEMBL27848836 0.82 L3MBTL1 (0.48) CNR2KDM4E
SCHEMBL27848808 0.81 L3MBTL1 (0.44) MEN1KMT2AS1PR1KDM4E
SCHEMBL10129797 0.80 PSEN1 (0.42) LMNAHTR2AMEN1KMT2AS1PR1

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-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed