SCHEMBL14201102

SCHEMBL14201102

CCCCC(CCCC)N(C(=O)CC(C)(C)C)c1ccc(Br)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
SLC6A4 P31645 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.32
GAA P10253 1/20 0.31
XBP1 P17861 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL14201104 0.93 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14201008 0.87 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14200981 0.87 CHRNA1 (0.35) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14543593 0.86 KMT2A (0.36) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14200988 0.85 CHRNA1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14200887 0.85 POLB (0.33) LMNA
SCHEMBL14201039 0.84 IDO1 (0.33) NPSR1
SCHEMBL14543608 0.83 CHRNA1 (0.34) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14201016 0.82 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14200995 0.81 RIPK1 (0.39) RAB9AALDH1A1KMT2ALMNAGAA

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