SCHEMBL8558176

SCHEMBL8558176

NC1C(=O)N(CCN2CCOCC2)c2cc(F)ccc2N(CC23CC4CC(CC(C4)C2)C3)C1=O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HKDC1 Q2TB90 2/20 0.46
TDP2 O95551 1/20 0.46
CASP6 P55212 1/20 0.46
UBE2I P63279 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
CCKBR P32239 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 4/20 0.38
POLB P06746 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
SCHEMBL8564644 0.88 CCKBR (0.49) CCKBRKDM4EEPHX2
SCHEMBL8559712 0.81 CCKBR (0.66) CCKBR
SCHEMBL8557455 0.79 CCKBR (0.47) CCKBRALDH1A1EPHX2
SCHEMBL8898223 0.79 CCKBR (0.43) CCKBREPHX2
SCHEMBL9014095 0.77 CCKBR (0.50) CCKBREPHX2
SCHEMBL8562940 0.72 KDM4E (0.47) CCKBRKDM4EEPHX2
SCHEMBL8866156 0.71 CCKBR (0.53) CCKBREPHX2
SCHEMBL8866731 0.69 CCKBR (0.51) CCKBREPHX2
SCHEMBL7926069 0.69 CCKBR (0.79) CCKBR
SCHEMBL8866621 0.68 CCKBR (0.64) CCKBREPHX2

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-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 EP disclosed
US-5716953-A MODIFIERS OF GASTRIN AND CHOLECYSTOKININS GLAXO WELLCOME S.P.A. (IT) 1998-02-10 US disclosed