SCHEMBL14200872

SCHEMBL14200872

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL14201018 0.92 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14228990 0.87 PSEN1 (0.32) MLYCDPSEN1PSEN2APH1BNCSTN
SCHEMBL14200873 0.87 RIPK1 (0.32)
SCHEMBL14201042 0.86 TSHR (0.31) MMP2
SCHEMBL14201113 0.84 RIPK1 (0.32)
SCHEMBL14201021 0.81 RIPK1 (0.33)
SCHEMBL14201089 0.81 PDE5A (0.35) MLYCD
SCHEMBL14200485 0.80 ALDH1A1 (0.39) MMP2
SCHEMBL14201020 0.79 MLYCD (0.30) MLYCD
SCHEMBL14229252 0.79 PSEN1 (0.35) 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-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