SCHEMBL8044537

SCHEMBL8044537

COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(Br)cc(OC)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 1.00

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
SCHEMBL30079862 0.74 CRHR1 (1.00) CRHR1
SCHEMBL8044612 0.74 CRHR1 (1.00) CRHR1
SCHEMBL6302106 0.63 CRHR1 (0.87) CRHR1
SCHEMBL7533740 0.63 CRHR1 (0.89) CRHR1
SCHEMBL21886154 0.62 CRHR1 (0.66) CRHR1
SCHEMBL8211979 0.62 CRHR1 (0.62) CRHR1
SCHEMBL6297565 0.62 CRHR1 (1.00) CRHR1
SCHEMBL20733369 0.61 CRHR1 (0.66) CRHR1
SCHEMBL21886139 0.60 CRHR1 (0.68) CRHR1
SCHEMBL8202582 0.60 CRHR1 (0.48) CRHR1

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-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed