SCHEMBL8052186

SCHEMBL8052186

Cc1ccc(-c2cc(C3CCCN(c4ccc(C(F)(F)F)cc4)C3)cc(C(CC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.57
PSEN2 P49810 2/20 0.57
APH1B Q8WW43 2/20 0.57
NCSTN Q92542 2/20 0.57
APH1A Q96BI3 2/20 0.57
PSENEN Q9NZ42 2/20 0.57
APP P05067 1/20 0.44
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
NOTUM Q6P988 1/20 0.39
CACNA1B Q00975 1/20 0.37
KDM1A O60341 1/20 0.36
MDM2 Q00987 1/20 0.36
TRPA1 O75762 3/20 0.36
PTGES O14684 1/20 0.36
MCHR1 Q99705 1/20 0.35
CTSL P07711 3/20 0.35
CTSB P07858 3/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 3/20 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
SCHEMBL478184 0.97 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478052 0.93 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478279 0.90 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012803 0.90 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8052255 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10130349 0.89 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478203 0.88 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12012802 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8040802 0.87 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL478246 0.87 PSEN1 (0.65) 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-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed