SCHEMBL12494089

SCHEMBL12494089

O=C1NCCCCC1N(C(=O)O)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 19/20 0.46
▸ PSEN2 P49810 19/20 0.46
▸ APH1B Q8WW43 19/20 0.46
▸ NCSTN Q92542 19/20 0.46
▸ APH1A Q96BI3 19/20 0.46
▸ PSENEN Q9NZ42 19/20 0.46

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
SCHEMBL12494150 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12494148 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12493845 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6887643 0.73 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1570397 0.72 SLC6A2 (0.56) —
SCHEMBL29437144 0.70 L3MBTL1 (0.49) —
SCHEMBL27476727 0.70 L3MBTL1 (0.49) —
SCHEMBL12493641 0.70 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14857298 0.70 RAB9A (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8081931 0.69 NPC1 (0.42) 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-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
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