SCHEMBL14229252

SCHEMBL14229252

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.35
PSEN2 P49810 14/20 0.35
APH1B Q8WW43 14/20 0.35
NCSTN Q92542 14/20 0.35
APH1A Q96BI3 14/20 0.35
PSENEN Q9NZ42 14/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL14228990 0.91 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229899 0.91 P2RX7 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229078 0.88 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL14201018 0.86 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229739 0.84 TP53 (0.31)
SCHEMBL14229417 0.84 TAS1R3 (0.31)
SCHEMBL14200872 0.79 MLYCD (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14543478 0.78 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14230174 0.78 KDM4E (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229211 0.77 ALDH1A1 (0.43) 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 2 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