SCHEMBL6672245

SCHEMBL6672245

C=CCOC(=O)N1CCC(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.57
▸ PLG P00747 3/20 0.57
▸ F2 P00734 2/20 0.57
▸ PRSS1 P07477 2/20 0.52
▸ PRSS2 P07478 2/20 0.52
▸ PRSS3 P35030 2/20 0.52
▸ GPR119 Q8TDV5 7/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.50
▸ NR1H2 P55055 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PRMT5 O14744 2/20 0.45
▸ WDR77 Q9BQA1 2/20 0.45
▸ ESR2 Q92731 1/20 0.44
▸ ALK Q9UM73 1/20 0.43

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
SCHEMBL6674424 0.87 F10 (0.52) F10PLGF2GPR119NPC1
SCHEMBL31013899 0.85 GPR119 (0.56) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL974703 0.83 GPR119 (0.55) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL974823 0.82 GPR119 (0.56) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL4915776 0.81 GPR119 (0.53) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL974325 0.81 HRH3 (0.60) GPR119HRH3NR1H2NPC1RAB9A
SCHEMBL6671296 0.81 HRH3 (0.57) F10PLGF2PRSS1PRSS2
SCHEMBL24628711 0.80 F10 (0.47) F10PLGF2PRSS1PRSS2
SCHEMBL6674044 0.80 F10 (0.49) F10PLGF2PRSS1PRSS2
SCHEMBL3090692 0.80 HRH3 (0.68) GPR119HRH3NR1H2NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004035544-A1 BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2004-04-29 — — WO disclosed
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