SCHEMBL17877421

SCHEMBL17877421

BrC1=CCC(OCc2ccccc2)C=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSK P43235 1/20 0.37
TSHR P16473 1/20 0.36
PDPK1 O15530 1/20 0.35
MTOR P42345 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
DPP4 P27487 1/20 0.34
MAOB P27338 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL31411110 0.76 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7668354 0.74 TSHR (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14327408 0.73 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11440021 0.72 TSHR (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24201370 0.72 MAOB (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28778158 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11549786 0.71 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8439338 0.70 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1288292 0.69 CTSL (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31444193 0.69 PSEN1 (0.62) 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-2016102967-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES Convergence Pharmaceuticals Limited (GB) 2016-06-30 WO disclosed