SCHEMBL2846217

SCHEMBL2846217

CC1CCN(C(c2ccc(F)cc2)c2ccc([C@@H](CC3CC3)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.77
PSEN2 P49810 3/20 0.77
APH1B Q8WW43 3/20 0.77
NCSTN Q92542 3/20 0.77
APH1A Q96BI3 3/20 0.77
PSENEN Q9NZ42 3/20 0.77
KCNH2 Q12809 2/20 0.77
PTGS1 P23219 1/20 0.77
PTGS2 P35354 1/20 0.77
APP P05067 2/20 0.46
MAPT P10636 1/20 0.38
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP7 Q9UHL4 2/20 0.38
AKR1C3 P42330 5/20 0.38
AKR1C2 P52895 5/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CACNA1A O00555 2/20 0.36
CACNA2D1 P54289 2/20 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
SCHEMBL2849624 1.00 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2846664 0.87 KCNH2 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2847511 0.87 KCNH2 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24913685 0.87 KCNH2 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2850416 0.82 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2844400 0.82 KCNH2 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2844065 0.81 KCNH2 (0.82) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2842871 0.80 KCNH2 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2849902 0.80 KCNH2 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2844174 0.80 KCNH2 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO claimed