SCHEMBL8558091

SCHEMBL8558091

CCN(CC)CCN(C(=O)Nc1ccccc1)C1C(=O)N(CCC(C)C)c2ccccc2C[NH+]1[O-]

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.46

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
SCHEMBL8664226 0.69 CCKBR (0.57) CCKBR
SCHEMBL8558028 0.67 CCKBR (0.49) CCKBR
SCHEMBL8556701 0.64 CCKBR (0.46) CCKBR
SCHEMBL8651647 0.63 CCKBR (0.85) CCKBR
SCHEMBL8650565 0.62 CCKBR (0.54) CCKBR
SCHEMBL4323192 0.60 CCKBR (0.47) CCKBR
SCHEMBL4323260 0.60 CCKBR (0.47) CCKBR
SCHEMBL8635376 0.60 CCKBR (1.00) CCKBR
SCHEMBL8559175 0.59 CCKBR (0.80) CCKBR
SCHEMBL8562935 0.59 CCKBR (0.79) CCKBR

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
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US claimed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed