SCHEMBL6225071

SCHEMBL6225071

CNC(=O)c1ccc(Oc2cc3c(cc2I)CCN(C(=O)O)CC3CC(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.42
▸ OPRM1 P35372 4/20 0.34
▸ OPRD1 P41143 4/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC18A2 Q05940 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL6223629 0.86 HRH3 (0.54) HRH3OPRM1OPRD1OPRK1
SCHEMBL6225069 0.85 HRH3 (0.44) HRH3OPRM1OPRD1OPRK1HTR2B
SCHEMBL5194064 0.82 HRH3 (0.40) HRH3OPRM1OPRD1
SCHEMBL5169168 0.78 PRMT5 (0.37) HRH3SLC18A2
SCHEMBL5713479 0.77 HRH3 (0.46) HRH3OPRM1OPRD1OPRK1
SCHEMBL6228809 0.76 GRIN1 (0.40) HRH3MEN1KMT2ASLC18A2KDM4E
SCHEMBL6226195 0.74 HRH3 (0.39) HRH3MEN1KMT2ASMN1; SMN2HTR1A
SCHEMBL3100067 0.74 HRH3 (0.48) HRH3KMT2AABCB1
SCHEMBL6225384 0.73 SMN1; SMN2 (0.40) HRH3MEN1KMT2ASMN1; SMN2SLC18A2
SCHEMBL5170957 0.73 CHRNB2 (0.38) HRH3SLC18A2POLB

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
EP-1572215-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2005-09-14 — — EP disclosed
WO-2004056369-A1 BENZO ‘ D!AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS GLAXO GROUP LIMITED (GB) 2004-07-08 — — WO disclosed
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