SCHEMBL7547746

SCHEMBL7547746

CC(C)CCC(NC(=O)NC(C)(C)C)[C@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.49
ANPEP P15144 2/20 0.49
RNPEP Q9H4A4 2/20 0.49
DNPEP Q9ULA0 2/20 0.49
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.41
CTRB1 P17538 1/20 0.38
LTA4H P09960 1/20 0.38
REN P00797 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SLC15A1 P46059 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
SCHEMBL6430008 1.00 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPNPC1
SCHEMBL6225271 0.86 LAP3 (0.51) LAP3ANPEPRNPEPDNPEPNPC1
SCHEMBL7360300 0.82 BACE1 (0.40) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL9064384 0.82 LAP3 (0.55) LAP3ANPEPRNPEPDNPEPCTRB1
SCHEMBL8840299 0.81 BACE1 (0.40) NPC1RAB9AMAPTRENLMNA
SCHEMBL6448962 0.80 NPC1 (0.51) NPC1RAB9AMAPTCTRB1LMNA
SCHEMBL9742824 0.80 NPC1 (0.51) NPC1RAB9AMAPTCTRB1LMNA
SCHEMBL7358895 0.78 REN (0.38) LAP3ANPEPRNPEPDNPEPREN
SCHEMBL7358901 0.76 CYP3A4 (0.41) RENLMNA
SCHEMBL7360719 0.76 BACE1 (0.36) NPC1RAB9AMAPTREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750648-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1998-05-12 US disclosed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed