SCHEMBL9122014

SCHEMBL9122014

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1N=C(c2ccccc2)c2cccc3c2N(CC3)C1=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.69
CCKAR P32238 4/20 0.69
CCKBR P32239 4/20 0.69
PDE4A P27815 7/20 0.63
PDE4B Q07343 7/20 0.63
PDE4C Q08493 7/20 0.63
PDE4D Q08499 7/20 0.63
PDE3B Q13370 2/20 0.63
PDE3A Q14432 2/20 0.63
PDE5A O76074 1/20 0.63
PDE1A P54750 1/20 0.63
PDE1B Q01064 1/20 0.63
PDE1C Q14123 1/20 0.63

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
SCHEMBL9121125 1.00 SCN9A (0.69) SCN9ACCKARCCKBRPDE4APDE4B
SCHEMBL9122887 0.93 CCKBR (0.71) SCN9ACCKARCCKBRPDE4APDE4B
SCHEMBL9124084 0.93 CCKBR (0.71) SCN9ACCKARCCKBRPDE4APDE4B
SCHEMBL9122695 0.83 PDE4A (0.64) CCKBRPDE4APDE4BPDE4CPDE4D
SCHEMBL9122114 0.83 PDE4A (0.64) CCKBRPDE4APDE4BPDE4CPDE4D
SCHEMBL9119511 0.83 PDE4A (0.57) SCN9ACCKARCCKBRPDE4APDE4B
SCHEMBL9526573 0.82 SCN9A (1.00) SCN9ACCKARCCKBR
SCHEMBL9526577 0.82 SCN9A (1.00) SCN9ACCKARCCKBR
SCHEMBL9526582 0.82 SCN9A (1.00) SCN9ACCKARCCKBR
SCHEMBL9293100 0.82 CCKAR (0.75) SCN9ACCKARCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5461048-A Tricyclic compounds having cholecystokinin antagonist activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
US-5401737-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
EP-0360079-B1 Tricyclic compounds, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-02 EP disclosed
US-5248679-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-28 US disclosed
US-5155101-A Tricyclic compounds FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
US-4981847-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-01 US disclosed
EP-0360079-A1 Tricyclic compounds, processes for their preparation and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-03-28 EP disclosed