SCHEMBL8541107

SCHEMBL8541107

CCOC(=O)c1c(NCC(=O)c2ccccc2Cc2ccccc2)c2c(Cl)cc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.47
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TSHR P16473 2/20 0.34
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
ALOX5 P09917 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL8543997 0.93 MDM2 (0.43) MDM2CRHBPCRHR2TSHRPDE3B
SCHEMBL8540513 0.88 MDM2 (0.48) MDM2CRHBPCRHR2MEN1KMT2A
SCHEMBL8545420 0.87 MDM2 (0.44) MDM2CRHBPCRHR2TSHRMEN1
SCHEMBL8543993 0.85 MDM2 (0.45) MDM2CRHBPCRHR2TSHRPDE3B
SCHEMBL8540675 0.85 MDM2 (0.46) MDM2TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL8545284 0.83 MDM2 (0.43) MDM2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8836007 0.82 MDM2 (0.43) MDM2CRHBPCRHR2MEN1KMT2A
SCHEMBL8918752 0.82 MDM2 (0.51) MDM2CRHBPCRHR2ALDH1A1CYP1A2
SCHEMBL8538967 0.82 MDM2 (0.44) MDM2CRHBPCRHR2MEN1KMT2A
SCHEMBL8541669 0.81 MDM2 (0.42) MDM2TSHRSMN1; SMN2LMNAALDH1A1

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