SCHEMBL8545242

SCHEMBL8545242

CN(CC(=O)c1cccc(F)c1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR17 Q13304 2/20 0.43
FBP1 P09467 1/20 0.43

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
SCHEMBL8540374 0.89 GPR17 (0.45) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8465056 0.89 GRIN1 (0.54) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8540696 0.87 ALOX15 (0.43) CYP1A2
SCHEMBL4342139 0.86 MEN1 (0.47) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8539180 0.86 GRIN1 (0.47) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8544705 0.85 GPR17 (0.43) GPR17
SCHEMBL8542908 0.82 GRIN1 (0.46) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL4342137 0.78 GRIN1 (0.49) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8539021 0.78 MEN1 (0.52) GRIN1MEN1LMNACYP1A2MAPK1
SCHEMBL8545145 0.77 CYP1A2 (0.48) GRIN1MEN1LMNACYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189054-A 3-amidoindolyl derivatives and pharmaceutical compositions thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US claimed
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