SCHEMBL14200859

SCHEMBL14200859

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MLYCD O95822 1/20 0.37
KCNH2 Q12809 2/20 0.37
VNN1 O95497 1/20 0.36
FDPS P14324 1/20 0.36

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
SCHEMBL14200849 0.93 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14200940 0.90 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14200843 0.89 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14228961 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14200846 0.85 TAS1R3 (0.36) SMN1; SMN2
SCHEMBL14200876 0.84 F2R (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14200864 0.82 RIPK1 (0.48)
SCHEMBL14200831 0.81 LDHA (0.43) SMN1; SMN2
SCHEMBL14200932 0.80 HPGD (0.40) SMN1; SMN2
SCHEMBL14228978 0.79 PSEN1 (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