SCHEMBL8540741

SCHEMBL8540741

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.38
CETP P11597 2/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
ADORA3 P0DMS8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8540708 0.93 MDM2 (0.42) MDM2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL8544760 0.92 MDM2 (0.42) MDM2CETPALDH1A1MAPTADORA3
SCHEMBL8546095 0.92 MDM2 (0.39) MDM2CETPALDH1A1MAPTCYP1A2
SCHEMBL8538967 0.91 MDM2 (0.44) MDM2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL8545614 0.87 MDM2 (0.38) MDM2ALDH1A1MAPTBCHEACHE
SCHEMBL8541910 0.86 MDM2 (0.43) MDM2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL8547269 0.85 MDM2 (0.40) MDM2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8540675 0.84 MDM2 (0.46) MDM2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL8545284 0.83 MDM2 (0.43) MDM2ALDH1A1MAPTMEN1KMT2A
SCHEMBL8540513 0.82 MDM2 (0.48) MDM2ALDH1A1MAPTMEN1KMT2A

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