SCHEMBL8546244

SCHEMBL8546244

CCOC(=O)c1[nH]c2cc(C(F)(F)F)ccc2c1NCCC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 8/20 0.45
GAA P10253 2/20 0.43
F2 P00734 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL8540260 0.90 MAPT (0.48) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL8542952 0.87 KMT2A (0.52) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL8545411 0.87 MAPT (0.53) MAPTALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8542212 0.82 ALOX15 (0.48) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL8541778 0.82 ALDH1A1 (0.45) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL19831095 0.80 ALOX15 (0.53) ALOX15
SCHEMBL8542736 0.79 ALOX15 (0.41) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL8546241 0.79 ALOX15 (0.43) MAPTALDH1A1HPGDKDM4EALOX15
SCHEMBL8542296 0.77 KMT2A (0.54) MAPTALDH1A1HPGDTSHRHSD17B10
SCHEMBL8545400 0.77 MDM2 (0.41) MAPTALDH1A1GAARAB9A

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