SCHEMBL2903302

SCHEMBL2903302

CCOC(=O)C(CC(C)C)c1cc(-c2ccccc2)cc(C2CCN(C/C=C/C(C)C)CC2)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
OPRD1 P41143 1/20 0.32
IKBKB O14920 2/20 0.31
CHUK O15111 2/20 0.31
SLC9A1 P19634 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31
RBP4 P02753 1/20 0.31

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
SCHEMBL2903305 1.00 ALDH1A1 (0.35) ALDH1A1KDM4ETSHRKMT2APSEN1
SCHEMBL2899771 0.91 PSEN1 (0.38) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2899774 0.91 PSEN1 (0.38) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2916426 0.87 UBE2M (0.39) ALDH1A1KDM4E
SCHEMBL2919438 0.85 CTSK (0.41) HRH2
SCHEMBL27848794 0.85 PSEN1 (0.33) ALDH1A1KDM4EKMT2APSEN1PSEN2
SCHEMBL27848934 0.84 OPRM1 (0.38) ALDH1A1KDM4EOPRD1L3MBTL1MAPT
SCHEMBL27829098 0.82 CTSL (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27830427 0.82 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27848908 0.82 ATM (0.40) ALDH1A1KDM4ETSHRDPP4DPP7

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