SCHEMBL14229282

SCHEMBL14229282

CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)CCC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.46
PSEN2 P49810 2/20 0.46
APH1B Q8WW43 2/20 0.46
NCSTN Q92542 2/20 0.46
APH1A Q96BI3 2/20 0.46
PSENEN Q9NZ42 2/20 0.46
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KCNH2 Q12809 1/20 0.38
PNMT P11086 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 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
SCHEMBL14229216 0.92 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229396 0.91 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14228961 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14200843 0.86 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229223 0.84 TAS1R3 (0.38) SMN1; SMN2
SCHEMBL14229238 0.84 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14228978 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14229894 0.82 RIPK1 (0.44)
SCHEMBL14229512 0.80 LDHA (0.45) SMN1; SMN2
SCHEMBL14229289 0.79 MEN1 (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 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