SCHEMBL8202582

SCHEMBL8202582

CCC(COC)n1nnc2c(Nc3c(Br)cc(OC)cc3OC)nc(C)nc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.48
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL8204017 0.90 CRHR1 (0.47) CRHR1LMNAALDH1A1TP53HPGD
SCHEMBL21886231 0.84 CRHR1 (0.62) CRHR1LMNAALDH1A1TP53HPGD
SCHEMBL7534738 0.84 CRHR1 (0.49) CRHR1
SCHEMBL8202018 0.81 CRHR1 (0.56) CRHR1
SCHEMBL7534580 0.80 CRHR1 (0.56) CRHR1
SCHEMBL21886137 0.80 CRHR1 (0.52) CRHR1LMNAALDH1A1MEN1KMT2A
SCHEMBL20733327 0.79 CRHR1 (0.75) CRHR1MEN1KMT2A
SCHEMBL7483912 0.79 CRHR1 (0.51) CRHR1LMNA
SCHEMBL7475973 0.78 CRHR1 (0.46) CRHR1LMNA
SCHEMBL8203092 0.77 CRHR1 (0.58) 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