SCHEMBL8545425

SCHEMBL8545425

CC(C(=O)O)c1cc2c(Cl)c(Cl)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
PTGS1 P23219 2/20 0.47
MEN1 O00255 1/20 0.47
ABCC4 O15439 1/20 0.47
C5 P01031 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4D Q08499 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
DAO P14920 1/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
APP P05067 1/20 0.36
EIF4A3 P38919 1/20 0.35

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
SCHEMBL8540222 0.77 GRIN1 (0.55) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL8541911 0.73 GRIN2D (0.40) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL708527 0.72 GRIN1 (0.57) MEN1KMT2AHRH4EIF4A3RHEB
SCHEMBL24740396 0.71 ALOX15 (0.57) MEN1MAPTKMT2AHRH4EIF4A3
SCHEMBL2494143 0.69 SMAD3 (0.54) PTGS2HRH4
SCHEMBL1767751 0.68 ALOX5 (0.57) PTGS2MAPTDAO
SCHEMBL12826826 0.68 CYP2A6 (0.49) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL30039640 0.68 HRH4 (0.56) HRH4
SCHEMBL24754486 0.68 HRH4 (0.56) KMT2AHRH4RHEB
SCHEMBL19331400 0.68 HRH4 (0.56) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483881-B1 3-Amidoindolyl derivatives MERRELL PHARMA INC (US) 1998-01-21 EP disclosed
US-5703107-A CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-12-30 US disclosed
US-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed
US-5491153-A 3-amidoindolyl derivative MERRELL DOW PHARMACEUTICALS INC. (US) 1996-02-13 US disclosed
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
EP-0483881-A1 3-Amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1992-05-06 EP disclosed