SCHEMBL9538998

SCHEMBL9538998

CC(Cc1c[nH]c2ccccc12)(NC(=O)O)C(=O)NCCc1ccccc1NC(=O)CCC(=O)Nc1nnn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.52
NMBR P28336 1/20 0.48
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42

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
SCHEMBL7662955 0.83 CCKAR (0.57) CCKBR
SCHEMBL6892993 0.83 CCKAR (0.57) CCKBR
SCHEMBL7817204 0.81 CCKBR (0.56) CCKBRNMBRMAPTALDH1A1MEN1
SCHEMBL8829876 0.80 CCKBR (0.68) CCKBRNMBRMAPTALDH1A1MEN1
SCHEMBL7820011 0.80 CCKBR (0.59) CCKBRNMBRMAPTALDH1A1MEN1
SCHEMBL7820013 0.80 CCKBR (0.59) CCKBRNMBRMAPTALDH1A1MEN1
SCHEMBL6892425 0.77 CCKBR (0.78) CCKBRNMBR
SCHEMBL10629963 0.77 CCKBR (0.59) CCKBRNMBRSIRT2
SCHEMBL8829834 0.76 CCKBR (0.61) CCKBRNMBR
SCHEMBL8829838 0.76 CCKBR (0.61) CCKBRNMBR

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-1993003721-A1 CHOLECYSTOKININ ANTAGONISTS USEFUL FOR TREATING DEPRESSION WARNER-LAMBERT COMPANY (US) 1993-03-04 WO claimed