SCHEMBL7485992

SCHEMBL7485992

CC[C@H](C)[C@H](NC(=O)OC)C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(N(CC)CC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
SLCO2B1 O94956 1/20 0.51
ABCB11 O95342 1/20 0.51
ABCB1 P08183 1/20 0.51
UGT1A1 P22309 1/20 0.51
CCKAR P32238 1/20 0.51
OPRK1 P41145 1/20 0.51
GHSR Q92847 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
PSEN1 P49768 12/20 0.49
PSEN2 P49810 12/20 0.49
APH1B Q8WW43 12/20 0.49
NCSTN Q92542 12/20 0.49
APH1A Q96BI3 12/20 0.49
PSENEN Q9NZ42 12/20 0.49
CTSD P07339 2/20 0.49
REN P00797 1/20 0.49

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
SCHEMBL7485987 1.00 MLNR (0.51) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7485980 1.00 MLNR (0.51) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7492730 0.94 PSEN1 (0.55) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7492736 0.94 PSEN1 (0.55) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7483934 0.91 MLNR (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7483928 0.91 MLNR (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7484979 0.91 MLNR (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7483926 0.91 MLNR (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7484988 0.91 MLNR (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1
SCHEMBL7484983 0.91 MLNR (0.52) MLNRNR1I2SLCO2B1ABCB11ABCB1

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-6451973-B1 HUMAN IMMUNODEFICIENCY VIRUS (HIV) PROTEASE INHIBITORS NOVATIS AG (CH) 2002-09-17 US disclosed
EP-0915841-B1 ANILINOPEPTIDE DERIVATIVES NOVARTIS AG (CH) 2002-02-27 EP disclosed