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SCHEMBL14201018

SCHEMBL14201018

CCCC(C)N(C(=O)CC(C)(C)C)c1ccc(F)c(Cl)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.33
▸ PSEN2 P49810 6/20 0.33
▸ APH1B Q8WW43 6/20 0.33
▸ NCSTN Q92542 6/20 0.33
▸ APH1A Q96BI3 6/20 0.33
▸ PSENEN Q9NZ42 6/20 0.33
▸ RIPK1 Q13546 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ FDFT1 P37268 4/20 0.31

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
SCHEMBL14200872 0.92 MLYCD (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14200873 0.90 RIPK1 (0.32) RIPK1FDFT1
SCHEMBL14201113 0.89 RIPK1 (0.32) RIPK1FDFT1
SCHEMBL14229252 0.86 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14201042 0.85 TSHR (0.31) RIPK1FDFT1
SCHEMBL14201021 0.84 RIPK1 (0.33) RIPK1FDFT1
SCHEMBL14200823 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14200469 0.79 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14228990 0.79 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14201012 0.78 PSEN1 (0.32) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed