SCHEMBL9038735

SCHEMBL9038735

CCOC(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)C(c2ccccc2)C(Br)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 7/20 0.46
CCKAR P32238 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
AKT1 P31749 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
SCHEMBL9040808 0.82 SCN9A (0.39) CCKBRCCKARSMN1; SMN2MEN1KMT2A
SCHEMBL9040545 0.80 CCKBR (0.45) CCKBRSMN1; SMN2
SCHEMBL7565985 0.78 CCKBR (0.50) CCKBR
SCHEMBL7599335 0.78 CCKBR (0.50) CCKBR
SCHEMBL10498966 0.75 CCKBR (0.49) CCKBR
SCHEMBL11133819 0.75 CCKBR (0.49) CCKBR
SCHEMBL7598579 0.75 CCKBR (0.47) CCKBR
SCHEMBL7598575 0.75 CCKBR (0.47) CCKBR
SCHEMBL7568437 0.74 CCKBR (0.46) CCKBRCCKAR
SCHEMBL10499355 0.74 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-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 EP disclosed