SCHEMBL8893570

SCHEMBL8893570

CN1C(=O)[C@H](NC(=O)OCc2ccccc2)N=C(C2CCC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.58
SCN9A Q15858 1/20 0.56
SENP1 Q9P0U3 1/20 0.51
KCNH2 Q12809 1/20 0.48

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
SCHEMBL8893569 1.00 CCKBR (0.58) CCKBRSCN9ASENP1KCNH2
SCHEMBL8893575 1.00 CCKBR (0.58) CCKBRSCN9ASENP1KCNH2
SCHEMBL9303058 0.98 CCKBR (0.58) CCKBRSCN9ASENP1KCNH2
SCHEMBL9303063 0.98 CCKBR (0.58) CCKBRSCN9ASENP1KCNH2
SCHEMBL9303068 0.98 CCKBR (0.58) CCKBRSCN9ASENP1KCNH2
SCHEMBL4418545 0.97 CCKBR (0.59) CCKBRSCN9ASENP1KCNH2
SCHEMBL8824753 0.97 CCKBR (0.59) CCKBRSCN9ASENP1KCNH2
SCHEMBL8824720 0.97 CCKBR (0.59) CCKBRSCN9ASENP1KCNH2
SCHEMBL8824754 0.97 CCKBR (0.59) CCKBRSCN9ASENP1KCNH2
SCHEMBL8824724 0.97 CCKBR (0.59) CCKBRSCN9ASENP1KCNH2

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
US-5597915-A ANTAGONISTS OF CHOLECYSTOKININ AND GASTRIN RECEPTORS MERCK SHARP & DOHME LTD. (GB) 1997-01-28 US disclosed