SCHEMBL10759779

SCHEMBL10759779

CC(C)(C)N(CC(=O)O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TBXAS1 P24557 7/20 0.42
TRPV1 Q8NER1 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
KCNA5 P22460 2/20 0.40
RIPK1 Q13546 1/20 0.40
KCNN4 O15554 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APP P05067 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL2444857 0.81 KMT2A (0.47) HTTTSHRALDH1A1NPSR1
SCHEMBL28709691 0.79 HTT (0.48) HTTNAPRTTBXAS1TRPV1KEAP1
SCHEMBL13153186 0.78 CHRNB2 (0.44) HTTTRPV1KCNA5RIPK1KCNN4
SCHEMBL4066046 0.76 HTT (0.44) HTTNAPRTGAATSHRKCNA5
SCHEMBL12057237 0.73 CHRNB2 (0.35) HTTTRPV1KCNA5RIPK1KCNN4
SCHEMBL9080141 0.72 ALDH1A1 (0.45) HTTGAATSHRALDH1A1MAPT
SCHEMBL16586311 0.71 HTT (0.43) HTTNAPRTTRPV1GAATSHR
SCHEMBL17591681 0.70 CYP3A4 (0.43) HTTTRPV1GAATSHRKCNA5
SCHEMBL6671752 0.70 HTT (0.65) HTTNAPRTTRPV1GAATSHR
SCHEMBL9078636 0.70 NR1H4 (0.47) KEAP1NFE2L2TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4686295-A N-carboxy anhydride intermediates USV PHARMACEUTICAL CORPORATION (US) 1987-08-11 US disclosed