SCHEMBL6225069

SCHEMBL6225069

CNC(=O)c1ccc(Oc2cc3c(cc2I)CCN(C(=O)O)CC3C(C)(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.44
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ GPR119 Q8TDV5 1/20 0.33
▸ GRN P28799 2/20 0.33
▸ SORT1 Q99523 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ HRH1 P35367 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ ABCB1 P08183 1/20 0.31
▸ OPRK1 P41145 1/20 0.31

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
SCHEMBL6223627 0.85 HRH3 (0.56) HRH3OPRM1OPRD1HRH1OPRK1
SCHEMBL6225071 0.85 HRH3 (0.42) HRH3OPRM1OPRD1HPGDSHTR2B
SCHEMBL5194058 0.81 HRH3 (0.41) HRH3OPRM1OPRD1
SCHEMBL3100067 0.79 HRH3 (0.48) HRH3GPR119ABCB1
SCHEMBL5713478 0.76 HRH3 (0.45) HRH3OPRM1OPRD1ABCB1OPRK1
SCHEMBL5169161 0.76 PRMT5 (0.36) HRH3GPR119HTR2A
SCHEMBL13180002 0.75 HRH3 (0.47) HRH3OPRM1OPRD1GPR119HRH1
SCHEMBL3077365 0.74 HRH3 (0.73) HRH3HRH1
SCHEMBL6228806 0.74 GRIN1 (0.40) —
SCHEMBL6226193 0.72 HRH3 (0.41) HRH3HTR2A

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
Send feedback