SCHEMBL8544976

SCHEMBL8544976

CCOC(=O)c1c(N(C)CC(=O)c2ccccc2)c2ccc(F)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.45
ELANE P08246 4/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8545397 0.89 MDM2 (0.44) MDM2ELANEKMT2AMEN1L3MBTL1
SCHEMBL8540090 0.86 MDM2 (0.47) MDM2ELANEKMT2AMEN1L3MBTL1
SCHEMBL8545025 0.86 ELANE (0.45) MDM2ELANEKMT2AMEN1NPC1
SCHEMBL8545442 0.82 MDM2 (0.46) MDM2ELANEKMT2AMEN1L3MBTL1
SCHEMBL8545338 0.81 MDM2 (0.49) MDM2
SCHEMBL8544978 0.80 MDM2 (0.42) MDM2ELANEKMT2AMEN1L3MBTL1
SCHEMBL8538965 0.80 MDM2 (0.46) MDM2ELANEKMT2AMEN1L3MBTL1
SCHEMBL8546091 0.80 MDM2 (0.42) MDM2ELANEKMT2AMEN1L3MBTL1
SCHEMBL8539838 0.79 MDM2 (0.42) MDM2ALDH1A1
SCHEMBL8544317 0.79 MAPK8 (0.44) MDM2

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