SCHEMBL8540260

SCHEMBL8540260

CCOC(=O)c1[nH]c2cc(C(F)(F)F)ccc2c1NCC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F2 P00734 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.43

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
SCHEMBL8546244 0.90 MAPT (0.47) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8542296 0.87 KMT2A (0.54) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8545851 0.85 ALOX15 (0.60) ALDH1A1HPGDALOX15
SCHEMBL8541953 0.82 ALOX15 (0.48) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8545593 0.82 KDM4E (0.46) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL19831095 0.81 ALOX15 (0.53) ALOX15
SCHEMBL8546241 0.80 ALOX15 (0.43) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL8540263 0.78 TP53 (0.42) MAPTKDM4EALDH1A1HPGDALOX15
SCHEMBL8542952 0.77 KMT2A (0.52) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL8545411 0.76 MAPT (0.53) MAPTKDM4EALDH1A1HPGDHSD17B10

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