SCHEMBL7284205

SCHEMBL7284205

COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 3/20 0.63
MLNR O43193 1/20 0.63
NR1I2 O75469 1/20 0.63
SLCO2B1 O94956 1/20 0.63
ABCB11 O95342 1/20 0.63
ABCB1 P08183 1/20 0.63
CCKAR P32238 1/20 0.63
OPRK1 P41145 1/20 0.63
GHSR Q92847 1/20 0.63
SLCO1B3 Q9NPD5 1/20 0.63
ABCG2 Q9UNQ0 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
CTSD P07339 1/20 0.56
CTSE P14091 1/20 0.56
PGC P20142 1/20 0.56
PSEN1 P49768 7/20 0.51
PSEN2 P49810 7/20 0.51
APH1B Q8WW43 7/20 0.51
NCSTN Q92542 7/20 0.51
APH1A Q96BI3 7/20 0.51

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
SCHEMBL7284198 1.00 UGT1A1 (0.63) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7404029 0.93 UGT1A1 (0.74) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7404435 0.93 UGT1A1 (0.74) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6450368 0.93 UGT1A1 (0.59) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6450369 0.93 UGT1A1 (0.59) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL7546023 0.92 MLNR (0.61) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444366 0.92 MLNR (0.55) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6444364 0.92 MLNR (0.55) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6445589 0.92 UGT1A1 (0.58) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL6445586 0.92 UGT1A1 (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP claimed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed