SCHEMBL5376593

SCHEMBL5376593

CC(C)(Cc1ccccc1)NN=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MMP8 P22894 4/20 0.39
CYP1A2 P05177 1/20 0.39
RECQL P46063 1/20 0.39
TRPA1 O75762 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7693697 0.88 LMNA (0.51) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
Mephentermine SCHEMBL121178 0.79 LMNA (1.00) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
SCHEMBL9275889 0.77 LMNA (0.55) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
SCHEMBL8613504 0.77 LMNA (0.65) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
SCHEMBL5255109 0.76 LMNA (0.59) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
Mephentermine SCHEMBL3256311 0.73 LMNA (0.78) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
Mephentermine SCHEMBL121177 0.73 LMNA (0.78) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
Mephentermine SCHEMBL6237301 0.73 LMNA (0.78) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
SCHEMBL5397874 0.72 CYP2D6 (0.65) LMNACYP2D6CYP3A4ALDH1A1CYP2C9
SCHEMBL5948337 0.72 CYP3A4 (0.67) LMNACYP2D6CYP3A4ALDH1A1CYP2C9

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-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed