SCHEMBL6298

SCHEMBL6298

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(N)Cc1ccc(-c2cncs2)cc1)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.59
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
SLCO2B1 O94956 1/20 0.59
ABCB11 O95342 1/20 0.59
ABCB1 P08183 1/20 0.59
CCKAR P32238 1/20 0.59
OPRK1 P41145 1/20 0.59
GHSR Q92847 1/20 0.59
SLCO1B3 Q9NPD5 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
SLCO1B1 Q9Y6L6 1/20 0.59
CYP3A4 P08684 5/20 0.54
KCNH2 Q12809 1/20 0.48
CTSD P07339 3/20 0.42
PSEN1 P49768 11/20 0.40
PSEN2 P49810 11/20 0.40
APH1B Q8WW43 11/20 0.40
NCSTN Q92542 11/20 0.40
APH1A Q96BI3 11/20 0.40

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
SCHEMBL6157294 0.91 MLNR (0.47) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6105 0.91 MLNR (0.47) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7547851 0.89 UGT1A1 (0.65) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL5977 0.88 UGT1A1 (0.66) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6169 0.87 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL5960 0.86 MLNR (0.43) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6156660 0.86 MLNR (0.43) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6749 0.86 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6867 0.85 UGT1A1 (0.64) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6596 0.84 UGT1A1 (0.63) 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 16 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
EP-0943668-B1 Process of improving the leveling of a floor polish composition ROHM & HAAS (US) 2005-02-09 EP disclosed
EP-0900833-B1 Polymer for improving the burnish response of a floor polish ROHM & HAAS (US) 2004-06-30 EP disclosed
US-6548596-B1 Aqueous suspension of water insoluble butyl methacrylate-isobutyl methacrylate copolymer comprising acid monomer; floor polish burnish response ROHM AND HAAS COMPANY 2003-04-15 US 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
US-6043314-A DIVALENT COPPER ION CROSSLINKING AGENT, POLYMER BEING PREPARED FROM MORE THAN ONE ETHYLENICALLY UNSATURATED MONOMER AND ACID CONTAININGFUNCTIONAL RESIDUES, ROHM AND HAAS COMPANY (US) 2000-03-28 US disclosed
EP-0943668-A1 Process of improving the leveling of a floor polish composition ROHM AND HAAS COMPANY (US) 1999-09-22 EP disclosed
EP-0943669-A1 Process of improving the appearance of a floor polish composition ROHM AND HAAS COMPANY (US) 1999-09-22 EP disclosed
EP-0900833-A1 Polymer for improving the burnish response of a floor polish ROHM AND HAAS COMPANY (US) 1999-03-10 EP disclosed
EP-0900210-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES Novartis AG (CH) 1999-03-10 EP disclosed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO disclosed
EP-0120712-B1 POLISH COMPOSITIONS AND POLISH VEHICLES USEFUL THEREIN ROHM AND HAAS COMPANY (US) 1987-06-24 EP disclosed
EP-0120712-A2 Polish compositions and polish vehicles useful therein ROHM AND HAAS COMPANY (US) 1984-10-03 EP disclosed