SCHEMBL8616285

SCHEMBL8616285

O=C1CC(=O)N(c2ccccc2)c2ccccc2N1NCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 15/20 0.46
HPGD P15428 1/20 0.41
EPHX2 P34913 2/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL8638848 0.80 CCKBR (0.58) CCKBRHPGDEPHX2
SCHEMBL8616291 0.80 CCKBR (0.42) CCKBRHPGDEPHX2
SCHEMBL8619499 0.77 CCKBR (0.55) CCKBRHPGDEPHX2
SCHEMBL9436139 0.75 CCKBR (0.53) CCKBRHPGDEPHX2
SCHEMBL4422153 0.71 HPGD (0.74) HPGD
SCHEMBL8616297 0.68 HPGD (0.41) CCKBRHPGDEPHX2
SCHEMBL8638391 0.67 CCKBR (0.64) CCKBR
SCHEMBL8621950 0.64 CCKBR (0.61) CCKBREPHX2
SCHEMBL23323137 0.63 P2RX7 (0.53) EPHX2P2RX7
SCHEMBL30087538 0.63 OPRK1 (0.70) CCKBRHPGD

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