SCHEMBL8204710

SCHEMBL8204710

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

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.57

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
SCHEMBL7619647 0.93 CRHR1 (0.56) CRHR1
SCHEMBL7483647 0.89 CRHR1 (0.56) CRHR1
SCHEMBL7621579 0.89 CRHR1 (0.60) CRHR1
SCHEMBL7621575 0.89 CRHR1 (0.60) CRHR1
SCHEMBL8202015 0.87 CRHR1 (0.57) CRHR1
SCHEMBL7539837 0.87 CRHR1 (0.55) CRHR1
SCHEMBL7619210 0.85 CRHR1 (0.58) CRHR1
SCHEMBL8202970 0.85 CRHR1 (0.47) CRHR1
SCHEMBL8203092 0.84 CRHR1 (0.58) CRHR1
SCHEMBL7476716 0.83 CRHR1 (0.59) 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-6107300-A CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS (US) 2000-08-22 US disclosed