SCHEMBL8540696

SCHEMBL8540696

CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1N(C)CC(=O)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 11/20 0.43
MDM2 Q00987 2/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 1/20 0.42
MDM4 O15151 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8545605 0.90 ALOX15 (0.48) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8545145 0.89 CYP1A2 (0.48) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8545242 0.87 GRIN1 (0.46) CYP1A2
SCHEMBL8543502 0.87 ALOX15 (0.47) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8542731 0.84 ALOX15 (0.41) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL8540191 0.84 MAPT (0.46) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8545634 0.81 ALOX15 (0.43) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8539653 0.80 CYP1A2 (0.47) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL8540699 0.80 HPGD (0.43) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL8544503 0.79 GRIN1 (0.41) ALOX15ALDH1A1CYP1A2HPGDXBP1

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