SCHEMBL8280065

SCHEMBL8280065

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 12/20 0.67
ABCB11 O95342 3/20 0.66
LMNA P02545 2/20 0.65
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
PDE3A Q14432 2/20 0.58
AGTR2 P50052 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL11187981 1.00 ACE (0.67) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11035895 0.91 ACE (0.73) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11049974 0.91 ACE (0.73) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11050512 0.91 ACE (0.73) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11050522 0.91 ACE (0.73) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11049962 0.91 ACE (0.73) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11177491 0.88 ACE (0.69) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11101516 0.88 ACE (0.73) ACEABCB11LMNAMEN1KMT2A
SCHEMBL11106730 0.88 ACE (0.73) ACEABCB11LMNAMEN1KMT2A
SCHEMBL7279512 0.88 ACE (0.73) ACEABCB11LMNAMEN1KMT2A

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
WO-2005079772-A2 COMBINATION OF (S)-AMLODIPINE AND AN ACE INHIBITOR, AND METHODS FOR REDUCING HYPERTENSION SEPRACOR INC. (US) 2005-09-01 WO disclosed