SCHEMBL8595286

SCHEMBL8595286

CCC(C(=O)Nc1ccc(F)cc1)N1C(=O)C(NC(=O)Nc2ccc(F)cc2)N=C(CN2CCOCC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.46
BDKRB1 P46663 4/20 0.42
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1388570 0.80 CCKBR (0.49) CCKBRBDKRB1
SCHEMBL8552793 0.72 CCKBR (0.48) CCKBRBDKRB1
SCHEMBL9007294 0.71 CCKBR (0.46) CCKBR
SCHEMBL1388598 0.67 CCKBR (0.59) CCKBR
SCHEMBL9008724 0.67 CCKBR (0.65) CCKBRBDKRB1
SCHEMBL8646939 0.67 CCKAR (0.55) CCKBR
SCHEMBL1388679 0.67 CCKBR (0.53) CCKBR
Hydrochloric Acid SCHEMBL9007292 0.67 CCKBR (0.58) CCKBR
SCHEMBL8555082 0.67 SENP1 (0.44) CCKBRBDKRB1
SCHEMBL8552604 0.67 CCKBR (0.48) 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-0672037-B1 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS GLAXO GROUP LTD (GB) 1998-07-08 EP disclosed