SCHEMBL10130499

SCHEMBL10130499

Cc1ccc(-c2cc(C3CCCN(Cc4cc(F)cc(C(F)(F)F)c4)C3)cc(C(CC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
PDE2A O00408 1/20 0.42
CNR2 P34972 1/20 0.38
APP P05067 1/20 0.38
ADORA2A P29274 1/20 0.37
CCR2 P41597 6/20 0.36
MDM2 Q00987 1/20 0.36
TACR1 P25103 1/20 0.36
CCR5 P51681 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MCHR1 Q99705 1/20 0.34
CETP P11597 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL478292 0.95 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10130284 0.95 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10130307 0.94 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10130313 0.92 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478171 0.91 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012789 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8049762 0.88 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478206 0.87 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478163 0.87 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478073 0.87 PSEN1 (0.56) 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
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed