SCHEMBL8202970

SCHEMBL8202970

CCC(COC)n1nnc2c(Nc3ccc(C(C)=O)cc3Br)nc(C)nc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 17/20 0.47
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7480974 0.93 CRHR1 (0.45) CRHR1MEN1KMT2AL3MBTL1
SCHEMBL8203092 0.82 CRHR1 (0.58) CRHR1MEN1KMT2A
SCHEMBL21886413 0.80 CRHR1 (0.58) CRHR1MEN1KMT2AL3MBTL1
SCHEMBL21886412 0.80 CRHR1 (0.60) CRHR1MEN1KMT2A
SCHEMBL20733327 0.78 CRHR1 (0.75) CRHR1MEN1KMT2A
SCHEMBL21886149 0.78 CRHR1 (0.58) CRHR1MEN1KMT2AL3MBTL1
SCHEMBL21886163 0.78 CRHR1 (0.52) CRHR1MEN1KMT2AL3MBTL1
SCHEMBL21886231 0.78 CRHR1 (0.62) CRHR1MEN1KMT2AL3MBTL1
SCHEMBL7537257 0.76 MEN1 (0.48) CRHR1MEN1KMT2AL3MBTL1
SCHEMBL8202582 0.75 CRHR1 (0.48) CRHR1MEN1KMT2A

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
US-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed