SCHEMBL6429914

SCHEMBL6429914

CCCCC(C)Nc1nc(C)nc2c1C(C)C(=O)N2c1c(C)cc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.45
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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 0.83 CRHR1 (0.43) CRHR1CYP3A4ALOX15
SCHEMBL7437676 0.79 CRHR1 (0.45) CRHR1CYP3A4KDM4EALDH1A1HPGD
SCHEMBL5843381 0.78 CRHR1 (0.34) CRHR1KDM4EALDH1A1
SCHEMBL7440000 0.76 CRHR1 (0.36) CRHR1CYP3A4ALOX15
SCHEMBL7437868 0.76 CRHR1 (0.36) CRHR1CYP3A4ALOX15
SCHEMBL5600404 0.73 CRHR1 (0.53) CRHR1
SCHEMBL5844782 0.72 CRHR1 (0.30) CRHR1
SCHEMBL6303472 0.71 CRHR1 (0.46) CRHR1CYP3A4KDM4EALDH1A1HPGD
SCHEMBL7429959 0.71 CRHR1 (0.38) CRHR1CYP3A4KDM4EALDH1A1HPGD
SCHEMBL8498539 0.70 CRHR1 (0.54) CRHR1CYP3A4KDM4EALDH1A1HPGD

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 2 patents. 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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed