SCHEMBL6674048

SCHEMBL6674048

C=CCOC(=O)N1CCC(Oc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.50
▸ PLG P00747 9/20 0.50
▸ F2 P00734 5/20 0.50
▸ PRSS1 P07477 13/20 0.47
▸ PRSS2 P07478 13/20 0.47
▸ PRSS3 P35030 13/20 0.47
▸ GPR119 Q8TDV5 4/20 0.39
▸ GUCY1A1 Q02108 1/20 0.36
▸ GUCY1B1 Q02153 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36

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
SCHEMBL6674044 0.85 F10 (0.49) F10PLGF2PRSS1PRSS2
SCHEMBL6674094 0.84 HRH3 (0.48) —
SCHEMBL6672764 0.82 F10 (0.45) F10PLGF2PRSS1PRSS2
SCHEMBL5551732 0.78 MTNR1B (0.50) —
SCHEMBL6672245 0.75 F10 (0.57) F10PLGF2PRSS1PRSS2
SCHEMBL2121245 0.74 DRD2 (0.38) —
SCHEMBL4637685 0.74 NR1H2 (0.39) —
SCHEMBL5165139 0.73 GRIN1 (0.54) —
SCHEMBL2124647 0.73 ESR1 (0.44) —
SCHEMBL6673742 0.72 F10 (0.44) F10

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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