SCHEMBL8662408

SCHEMBL8662408

CCN(CC)CCC1c2ccccc2N(CC2CCCCC2)C(=O)C(NC(=O)Nc2ccccc2)[NH+]1[O-]

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.42
EPHX1 P07099 2/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.84 CCKBR (0.57) CCKBR
SCHEMBL8561164 0.79 CCKBR (0.59) CCKBR
SCHEMBL8662406 0.72 CCKBR (0.40) CCKBREPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL8648076 0.70 CCKBR (0.64) CCKBR
SCHEMBL1387951 0.70 CCKBR (0.62) CCKBR
SCHEMBL7738118 0.66 CCKBR (0.56) CCKBR
SCHEMBL8561705 0.64 CCKBR (0.47) CCKBR
SCHEMBL7466224 0.61 CCKBR (0.59) CCKBRRAB9A
SCHEMBL7610054 0.59 CCKBR (0.55) CCKBR
SCHEMBL7610061 0.59 CCKBR (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP claimed