SCHEMBL6157364

SCHEMBL6157364

CC(C)(C)OC(=O)NN(Cc1ccc(-c2cnccn2)cc1)CC(O)C(N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.51
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
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
KCNH2 Q12809 1/20 0.43
PPARG P37231 1/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39

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
SCHEMBL6184 1.00 UGT1A1 (0.51) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL27535039 0.91 UGT1A1 (0.61) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6808 0.91 UGT1A1 (0.61) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6159044 0.91 UGT1A1 (0.61) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Hydrochloric Acid SCHEMBL5804 0.90 UGT1A1 (0.60) UGT1A1MLNRNR1I2SLCO2B1ABCB11
Hydrochloric Acid SCHEMBL6156633 0.90 UGT1A1 (0.60) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7540558 0.86 CTSS (0.47) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6426 0.86 UGT1A1 (0.56) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6157500 0.86 UGT1A1 (0.56) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6710768 0.85 AKT1 (0.49) UGT1A1MLNRNR1I2SLCO2B1ABCB11

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
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6300519-B1 REACTING HYDRAZINE DERIVATIVE WITH EPOXIDE COMPOUND NOVARTIS FINANCE CORPORATION 2001-10-09 US disclosed
US-6166004-A Combinations of HIV protease inhibitors with reverse transcriptase inhibitors NOVARTIS FINANCE CORPORATION (US) 2000-12-26 US disclosed
US-6110946-A AN ENZYME INHIBITORS OF RETROVIRAL ASPARTATE PROTEASE FOR THE TREATMENT OF AIDS NOVARTIS FINANCE CORPORATION (US) 2000-08-29 US disclosed
EP-0900210-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES Novartis AG (CH) 1999-03-10 EP disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO disclosed