SCHEMBL7429959

SCHEMBL7429959

CCCCC(C)Nc1nc(C)nc2c1CCC(=O)N2c1c(C)cc(Br)cc1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.38
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7437676 0.92 CRHR1 (0.45) CRHR1CYP3A4ALOX15KDM4EALDH1A1
SCHEMBL7440000 0.85 CRHR1 (0.36) CRHR1CYP3A4ALOX15
SCHEMBL6053051 0.83 CRHR1 (0.38) CRHR1CYP3A4ALOX15KDM4EALDH1A1
SCHEMBL7429966 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7436842 0.77 CRHR1 (0.43) CRHR1CYP3A4ALOX15
SCHEMBL5599570 0.77 CRHR1 (0.44) CRHR1
SCHEMBL7437868 0.76 CRHR1 (0.36) CRHR1CYP3A4ALOX15
SCHEMBL6303472 0.75 CRHR1 (0.46) CRHR1CYP3A4ALOX15KDM4EALDH1A1
SCHEMBL5600475 0.74 CRHR1 (0.46) CRHR1
SCHEMBL5600248 0.72 CRHR1 (0.34) 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