SCHEMBL7440000

SCHEMBL7440000

CCCCC(C)Nc1nc(C)nc2c1CC(C)C(=O)N2c1c(C)cc(Br)cc1C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.36
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL7436842 0.93 CRHR1 (0.43) CRHR1CYP3A4ALOX15
SCHEMBL7437868 0.91 CRHR1 (0.36) CRHR1CYP3A4ALOX15
SCHEMBL7429959 0.85 CRHR1 (0.38) CRHR1CYP3A4ALOX15
SCHEMBL7440014 0.82
SCHEMBL7437676 0.77 CRHR1 (0.45) CRHR1CYP3A4ALOX15
SCHEMBL6429914 0.76 CRHR1 (0.45) CRHR1CYP3A4ALOX15
SCHEMBL6053051 0.76 CRHR1 (0.38) CRHR1CYP3A4ALOX15
SCHEMBL5707842 0.76 CRHR1 (0.43) CRHR1
SCHEMBL7436852 0.74 CRHR1 (0.33) CRHR1ALOX15
SCHEMBL5599570 0.70 CRHR1 (0.44) 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
EP-1149583-A2 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues Pfizer Products Inc. (US) 2001-10-31 EP claimed