SCHEMBL5198565

SCHEMBL5198565

NC(=O)CC(C(N)=O)C1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.42
BLM P54132 1/20 0.42
HTT P42858 3/20 0.41
XBP1 P17861 1/20 0.41
ECE1 P42892 5/20 0.41
IDO1 P14902 2/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2461628 0.92 TRPM8 (0.41) TRPM8ECE1IDO1
SCHEMBL2406499 0.86 HTT (0.45) TRPM8ALDH1A1TSHRBLMHTT
SCHEMBL9567968 0.83 TRPM8 (0.49) TRPM8ALDH1A1HTTECE1
SCHEMBL9567950 0.82 TRPM8 (0.48) TRPM8ALDH1A1BLMHTTECE1
SCHEMBL8802816 0.79 TSHR (0.50) ALDH1A1TSHRBLMHTTXBP1
SCHEMBL27385115 0.75 TRPM8 (0.43) TRPM8ECE1
SCHEMBL11073296 0.74 ECE1 (0.45) ALDH1A1TSHRBLMHTTXBP1
SCHEMBL21359435 0.74 TSHR (0.44) TRPM8ALDH1A1TSHRHTTECE1
SCHEMBL30644032 0.74 HTT (0.48) TRPM8ALDH1A1TSHRBLMHTT
SCHEMBL5285710 0.74 HTT (0.48) TRPM8ALDH1A1TSHRBLMHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed