SCHEMBL7752996

SCHEMBL7752996

CC(C)C(C(N)=O)(c1ccccc1)N1C(=O)C(NC(=O)c2cc3ccccc3n2CC(=O)O)C(=O)N(c2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 8/20 0.47
CCKAR P32238 4/20 0.47
F10 P00742 5/20 0.38
XIAP P98170 2/20 0.37
CNR2 P34972 3/20 0.36
F2 P00734 1/20 0.34

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
SCHEMBL7752708 0.92 CCKBR (0.46) CCKBRCCKARF10XIAPCNR2
SCHEMBL8089888 0.81 F10 (0.41) CCKBRCCKARF10CNR2F2
SCHEMBL8783598 0.81 ACE (0.44) CCKBRF10
SCHEMBL8797702 0.79 CCKBR (0.54) CCKBRCCKAR
SCHEMBL7752993 0.76 CCKAR (0.78) CCKBRCCKAR
SCHEMBL8095747 0.75 F10 (0.44) F10CNR2F2
SCHEMBL8095859 0.75 F10 (0.44) F10CNR2F2
SCHEMBL8089998 0.75 F10 (0.44) F10CNR2F2
SCHEMBL7597322 0.74 CCKBR (0.58) CCKBRCCKAR
SCHEMBL8808190 0.73 MAPT (0.43) CCKBRCCKARXIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694039-B1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC AND OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-01-24 EP disclosed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed
WO-1994024149-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 WO disclosed