SCHEMBL8540739

SCHEMBL8540739

CCOC(=O)c1c(N(C)CC(=O)c2ccc(C(F)(F)F)cc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.41
CETP P11597 2/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
KDR P35968 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL8540705 0.92 MDM2 (0.45) MDM2LMNAMAPTMEN1KMT2A
SCHEMBL8546091 0.92 MDM2 (0.42) MDM2CETPMAPTMEN1KMT2A
SCHEMBL8538965 0.91 MDM2 (0.46) MDM2LMNAMEN1KMT2AALDH1A1
SCHEMBL8545611 0.87 MDM2 (0.41) MDM2LMNAMAPTALDH1A1NPSR1
SCHEMBL8547263 0.85 MDM2 (0.42) MDM2LMNAMAPTMEN1KMT2A
SCHEMBL8544760 0.83 MDM2 (0.42) MDM2CETPMAPTMEN1KMT2A
SCHEMBL8541906 0.82 MDM2 (0.44) MDM2LMNAMEN1KMT2AALDH1A1
SCHEMBL8540741 0.82 MDM2 (0.38) MDM2CETPMAPTMEN1KMT2A
SCHEMBL8543993 0.81 MDM2 (0.45) MDM2LMNAMAPTALDH1A1
SCHEMBL8541130 0.81 MDM2 (0.43) MDM2LMNAMEN1KMT2AALDH1A1

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