SCHEMBL8539028

SCHEMBL8539028

O=C(CCCNc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.54
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR17 Q13304 3/20 0.48
FBP1 P09467 1/20 0.48

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
SCHEMBL4480901 0.93 GRIN1 (0.56) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8539185 0.88 GRIN1 (0.49) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8539658 0.87 ALDH1A1 (0.48) GRIN1MEN1CYP1A2KMT2A
SCHEMBL4345215 0.86 GRIN1 (0.58) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8540376 0.85 GPR17 (0.47) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8545245 0.83 GRIN1 (0.47) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL9583013 0.81 GRIN1 (0.60) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL4343871 0.81 GRIN1 (0.51) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8835390 0.81 GRIN1 (0.54) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8545149 0.80 ALDH1A1 (0.49) GRIN1CYP1A2

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