SCHEMBL11118972

SCHEMBL11118972

CCOC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.46
NFKB2 Q00653 5/20 0.46
RELA Q04206 5/20 0.46
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCKBR P32239 5/20 0.40
CCKAR P32238 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL19224503 0.82 NFKB1 (0.51) NFKB1NFKB2RELACCKBRCCKAR
SCHEMBL19207684 0.82 NFKB1 (0.51) NFKB1NFKB2RELACCKBRCCKAR
SCHEMBL9040407 0.79 CCKBR (0.44) CCKBRCCKARNPSR1GAA
SCHEMBL10498972 0.78 LMNA (0.49) LMNASMN1; SMN2CCKBRCCKARNPSR1
SCHEMBL8881603 0.78 LMNA (0.49) LMNASMN1; SMN2CCKBRCCKARNPSR1
SCHEMBL7421691 0.78 CCKBR (0.51) CCKBR
SCHEMBL9230332 0.76 CCKBR (0.38) LMNASMN1; SMN2CCKBRCCKARNPSR1
SCHEMBL9226683 0.76 LMNA (0.36) LMNASMN1; SMN2CCKBRCCKARNPSR1
SCHEMBL7568437 0.76 CCKBR (0.46) CCKBRCCKAR
SCHEMBL10499355 0.76 CCKBR (0.46) CCKBRCCKAR

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-0119955-A2 3-(5-Aminopentyl)-amino-1-benzazepin-2-one-1-alcanoic acids, process for their preparation, their pharmaceutical preparation as well as their therapeutic use CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed