SCHEMBL8042237

SCHEMBL8042237

CCN(c1nc(C)cc(NC(=O)OC)n1)c1ccc(C(C)C)cc1Br

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.66

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
SCHEMBL8047350 0.91 CRHR1 (0.70) CRHR1
SCHEMBL7676399 0.86 CRHR1 (0.64) CRHR1
SCHEMBL7678011 0.82 CRHR1 (0.81) CRHR1
SCHEMBL7678403 0.82 CRHR1 (0.67) CRHR1
SCHEMBL7680317 0.82 CRHR1 (0.69) CRHR1
SCHEMBL7684872 0.78 CRHR1 (0.68) CRHR1
SCHEMBL7687264 0.78 CRHR1 (0.79) CRHR1
SCHEMBL7680481 0.78 CRHR1 (0.70) CRHR1
SCHEMBL7683219 0.77 CRHR1 (0.69) CRHR1
SCHEMBL7687611 0.77 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-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed