SCHEMBL7328902

SCHEMBL7328902

CC(C)CCC(N)(C(=O)C(C)(C)C)C(O)C(N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.49
ANPEP P15144 4/20 0.49
RNPEP Q9H4A4 3/20 0.49
DNPEP Q9ULA0 3/20 0.49
SLC15A1 P46059 1/20 0.40
CSNK1E P49674 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL7318484 0.84 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL8729343 0.74 LAP3 (0.45) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL6225271 0.74 LAP3 (0.51) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL9076303 0.69 CSNK1E (0.64) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL9076300 0.69 CSNK1E (0.64) LAP3ANPEPRNPEPDNPEPSLC15A1
Bicarbonate SCHEMBL7838533 0.68 SLC15A1 (0.56) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL3614651 0.67 SPPL2A (0.52) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7412831 0.66 SLC15A1 (0.50) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL7412834 0.66 SLC15A1 (0.50) LAP3ANPEPRNPEPDNPEPSLC15A1
SCHEMBL23752456 0.66 SLC6A2 (0.61) LAP3ANPEPRNPEPDNPEPSLC15A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622949-A AIDS THERAPY G. D. SEARLE & CO. (US) 1997-04-22 US disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed