SCHEMBL14200864

SCHEMBL14200864

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.48
BMP1 P13497 1/20 0.35
MDM2 Q00987 3/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.33
MEP1B Q16820 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HPGD P15428 1/20 0.33
CCR5 P51681 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL14200861 0.93 RIPK1 (0.46) RIPK1BMP1MDM2HTTKDM4E
SCHEMBL14200851 0.90 RIPK1 (0.50) RIPK1BMP1MDM2HTTKDM4E
SCHEMBL14200878 0.89 RIPK1 (0.47) RIPK1BMP1MDM2HTTKDM4E
SCHEMBL14229299 0.86 RIPK1 (0.45) RIPK1BMP1HTTKDM4EALDH1A1
SCHEMBL14200846 0.85 TAS1R3 (0.36) RIPK1KDM4EALDH1A1RAB9AHPGD
SCHEMBL14200792 0.84 RIPK1 (0.45) RIPK1BMP1MDM2HTTKDM4E
SCHEMBL14200909 0.84 RIPK1 (0.49) RIPK1BMP1MDM2HTTKDM4E
SCHEMBL14200859 0.82 PSEN1 (0.39)
SCHEMBL14200831 0.81 LDHA (0.43) HTTALDH1A1RAB9AHPGD
SCHEMBL14200932 0.80 HPGD (0.40) HTTALDH1A1RAB9AHPGD

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