SCHEMBL27366045

SCHEMBL27366045

COc1ccc(Cn2nnc(C(O)c3cc(OC(C)C)c(OC(C)C)cc3[N+](=O)[O-])c2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
AKR1C3 P42330 11/20 0.40
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
AKR1C2 P52895 1/20 0.37
P2RX3 P56373 1/20 0.37
PDE8B O95263 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL27482671 0.93 POLB (0.42) PTGER4AKR1C3POLBMAPTPDE8B
SCHEMBL8071411 0.91 UCHL1 (0.39) PTGER4AKR1C3POLBMAPTAKR1C2
SCHEMBL8067099 0.90 UCHL1 (0.38) PTGER4AKR1C3POLBMAPTALDH1A1
SCHEMBL5509234 0.90 UCHL1 (0.38) PTGER4AKR1C3POLBMAPTALDH1A1
SCHEMBL27367023 0.87 POLB (0.41) PTGER4AKR1C3POLBMAPTP2RX3
SCHEMBL27386727 0.85 PTGER4 (0.38) PTGER4AKR1C3POLBMAPTPDE8B
SCHEMBL5515660 0.84 UCHL1 (0.41) PTGER4POLBMAPTALDH1A1
SCHEMBL27461114 0.82 PKM (0.42) PTGER4AKR1C3POLBMAPTPDE8B
SCHEMBL8067119 0.81 SLC5A1 (0.43) POLBMAPTALDH1A1
SCHEMBL7827679 0.81 UCHL1 (0.40) PTGER4POLBMAPTPDE8BALDH1A1

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
CN-1066148-C Tricyclic benzazepine compounds MEIJI SEIKA CO (JP) 2001-05-23 CN disclosed
CN-1190971-A Tricyclic benzazepine * compounds MEIJI SEIKA CO (JP) 1998-08-19 CN disclosed