SCHEMBL5503605

SCHEMBL5503605

CC(C)(C)OC(=O)NC1CCCc2cc(OS(C)(=O)=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.40
BDKRB1 P46663 1/20 0.40
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3532957 0.89 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL2629484 0.89 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL20533140 0.86 DRD2 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL20533142 0.86 DRD2 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1MEN1
SCHEMBL1725707 0.83 BDKRB1 (0.42) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL13936478 0.83 BDKRB1 (0.42) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL1725709 0.83 BDKRB1 (0.42) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL29372292 0.82 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL21183420 0.82 LMNA (0.51) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL30444207 0.81 KMT2A (0.47) TAS1R3TAS1R1TAS1R2LMNAALDH1A1

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-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed