SCHEMBL6887643

SCHEMBL6887643

O=C1NCCCCC1N(C(=O)O)c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 14/20 0.39
▸ PSEN2 P49810 14/20 0.39
▸ APH1B Q8WW43 14/20 0.39
▸ NCSTN Q92542 14/20 0.39
▸ APH1A Q96BI3 14/20 0.39
▸ PSENEN Q9NZ42 14/20 0.39
▸ ALDH1A1 P00352 2/20 0.37

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
SCHEMBL3831445 0.87 PTGIR (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12493641 0.77 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12493845 0.73 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12494089 0.73 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23911957 0.71 SMN1; SMN2 (0.41) ALDH1A1
SCHEMBL6613398 0.69 CRBN (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6613354 0.69 APOL1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6613347 0.69 APOL1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6613404 0.69 CRBN (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12494295 0.69 PSEN1 (0.44) 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-2004092168-A1 CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-28 — — WO disclosed
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