SCHEMBL7450317

SCHEMBL7450317

CC(C)(C)CCN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
PPARG P37231 4/20 0.49
LTA4H P09960 2/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
BCL2 P10415 1/20 0.48
GPR34 Q9UPC5 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
LAP3 P28838 1/20 0.46

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
SCHEMBL7450328 1.00 MME (0.52) MMEACECPA1ACE2MMP9
Hydrochloric Acid SCHEMBL7884980 0.99 MME (0.51) MMEACECPA1ACE2MMP9
Hydrochloric Acid SCHEMBL7884986 0.99 MME (0.51) MMEACECPA1ACE2MMP9
SCHEMBL7440242 0.88 MME (0.53) MMEACECPA1ACE2MMP9
SCHEMBL7440228 0.88 MME (0.53) MMEACECPA1ACE2MMP9
Hydrochloric Acid SCHEMBL7894690 0.87 MME (0.53) MMEACECPA1ACE2MMP9
Hydrochloric Acid SCHEMBL7445392 0.87 MME (0.53) MMEACECPA1ACE2MMP9
SCHEMBL7440200 0.83 KMT2A (0.52) MMEACECPA1ACE2MMP9
SCHEMBL7440191 0.83 KMT2A (0.52) MMEACECPA1ACE2MMP9
SCHEMBL5833552 0.83 BCL2 (0.68) MMEACECPA1ACE2MMP9

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
US-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US claimed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US claimed
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
US-6323243-B1 AROMATIC ETHER WITH AMINE OR AMIDE GROUPS WARNER-LAMBERT COMPANY 2001-11-27 US disclosed
US-6180677-B1 ANTIEPILEPSY AGENT WARNER-LAMBERT COMPANY 2001-01-30 US disclosed
WO-2000006535-A1 TYROSINE-DERIVED COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed