SCHEMBL8203092

SCHEMBL8203092

CCC(COC)n1nnc2c(Nc3ccc(Br)cc3C)nc(C)nc21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.58
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL21886412 0.90 CRHR1 (0.60) CRHR1MEN1KMT2A
SCHEMBL20733327 0.89 CRHR1 (0.75) CRHR1MEN1KMT2A
SCHEMBL21886413 0.89 CRHR1 (0.58) CRHR1MEN1KMT2A
SCHEMBL21886149 0.89 CRHR1 (0.58) CRHR1MEN1KMT2A
SCHEMBL27500001 0.88 CRHR1 (0.48) CRHR1MEN1KMT2A
SCHEMBL7534738 0.87 CRHR1 (0.49) CRHR1
SCHEMBL7539896 0.86 CRHR1 (0.50) CRHR1MEN1KMT2A
SCHEMBL8204710 0.84 CRHR1 (0.57) CRHR1
SCHEMBL21886163 0.83 CRHR1 (0.52) CRHR1MEN1KMT2A
SCHEMBL8202970 0.82 CRHR1 (0.47) 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