SCHEMBL8545605

SCHEMBL8545605

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1N(C)CC(=O)c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 11/20 0.48
MDM2 Q00987 3/20 0.44
MDM4 O15151 1/20 0.44
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL8543502 0.93 ALOX15 (0.47) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8545145 0.91 CYP1A2 (0.48) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8540696 0.90 ALOX15 (0.43) ALOX15MDM2MDM4ALDH1A1CYP1A2
SCHEMBL8542731 0.90 ALOX15 (0.41) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL8540374 0.87 GPR17 (0.45) CYP1A2
SCHEMBL8540191 0.85 MAPT (0.46) ALOX15MDM2MDM4ALDH1A1CYP1A2
SCHEMBL8539653 0.81 CYP1A2 (0.47) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8538934 0.80 ALOX15 (0.48) ALOX15MDM2MDM4ALDH1A1CYP1A2
SCHEMBL8544503 0.80 GRIN1 (0.41) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL8538420 0.80 CYP1A2 (0.45) ALOX15MDM2ALDH1A1CYP1A2HPGD

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