SCHEMBL9027451

SCHEMBL9027451

CC(C)([O])Cc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DAO P14920 4/20 0.38
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
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
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL73649 0.83 ESR1 (0.46) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL565080 0.79 RIPK1 (0.45) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL562364 0.79 SLC6A2 (0.55) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL13788319 0.78 RIPK1 (0.47) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL13821426 0.78 RIPK1 (0.47) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL9025476 0.76 TRPA1 (0.44) RIPK1ALDH1A1ACHE
SCHEMBL15733654 0.75 RIPK1 (0.39) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL564639 0.74 RIPK1 (0.39) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL896163 0.71 HTT (0.42) RIPK1MAOAMAOBHTTALDH1A1
SCHEMBL9479412 0.71 SLC6A4 (0.61) ALDH1A1SLC6A2CHRNA4SLC6A3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed