SCHEMBL7440228

SCHEMBL7440228

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
PPARG P37231 3/20 0.48
LTA4H P09960 2/20 0.48
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
BCL2 P10415 1/20 0.47
REN P00797 2/20 0.47
IL1RN P18510 1/20 0.47
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
MAOB P27338 1/20 0.47
YAP1 P46937 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
SCHEMBL7440242 1.00 MME (0.53) MMEACECPA1ACE2MMP9
Hydrochloric Acid SCHEMBL7445392 0.99 MME (0.53) MMEACECPA1ACE2MMP9
Hydrochloric Acid SCHEMBL7894690 0.99 MME (0.53) MMEACECPA1ACE2MMP9
SCHEMBL7408594 0.91 REN (0.56) MMEACECPA1ACE2MMP9
SCHEMBL5833134 0.91 MME (0.50) MMEACECPA1ACE2MMP9
SCHEMBL5833138 0.91 MME (0.50) MMEACECPA1ACE2MMP9
SCHEMBL5833547 0.89 GPR132 (0.50) MMEACECPA1ACE2MMP9
SCHEMBL5833543 0.89 GPR132 (0.50) MMEACECPA1ACE2MMP9
SCHEMBL7450328 0.88 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL7450317 0.88 MME (0.52) 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