SCHEMBL8616291

SCHEMBL8616291

O=C1CC(=O)N(c2ccccc2)c2ccccc2N1NCCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.42
HPGD P15428 1/20 0.41
SLC6A2 P23975 2/20 0.34
OPRK1 P41145 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
TLR9 Q9NR96 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL8616285 0.80 CCKBR (0.46) CCKBRHPGDEPHX2
SCHEMBL8616297 0.75 HPGD (0.41) CCKBRHPGDOPRK1PDE4DMEN1
SCHEMBL4422153 0.71 HPGD (0.74) HPGDOPRK1PDE4DMEN1KMT2A
SCHEMBL8619499 0.65 CCKBR (0.55) CCKBRHPGDEPHX2
SCHEMBL9436139 0.64 CCKBR (0.53) CCKBRHPGDEPHX2
SCHEMBL8638848 0.64 CCKBR (0.58) CCKBRHPGDEPHX2
SCHEMBL8615202 0.64 CCKBR (0.61) CCKBRMEN1KMT2A
SCHEMBL30087538 0.63 OPRK1 (0.70) CCKBRHPGDOPRK1PDE4DMEN1
SCHEMBL11559256 0.63 OPRK1 (0.70) CCKBRHPGDOPRK1PDE4DMEN1
SCHEMBL22580612 0.62 MEN1 (0.64) HPGDOPRK1PDE4DMEN1KMT2A

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
EP-0623118-B1 CARBAMATE DERIVATIVES AND THEIR USE IN MEDICINE GLAXO WELLCOME SPA (IT) 1998-05-13 EP disclosed
US-5486514-A GASTRIN, CHOLECYSTOKININ RECEPTOR ANTAGONISTS GLAXO SPA (IT) 1996-01-23 US disclosed