SCHEMBL6465311

SCHEMBL6465311

CCC(CO)Nc1ccnc(COc2c(C)cc(OC)cc2C)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
CYP3A4 P08684 2/20 0.39
CRHR1 P34998 3/20 0.36
FYN P06241 3/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
PTGS2 P35354 2/20 0.31
DYRK3 O43781 1/20 0.31
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL6429820 0.79 KDM4E (0.34) HPGDCYP3A4CRHR1KDM4EALDH1A1
SCHEMBL5844146 0.74 CRHR1 (0.51) HPGDCYP3A4CRHR1
SCHEMBL6445649 0.74 HPGDS (0.38) HPGDCYP3A4NPC1RAB9A
SCHEMBL6798443 0.68 CRHR1 (0.57) HPGDCYP3A4CRHR1
SCHEMBL6803031 0.68 CRHR1 (0.46) HPGDCYP3A4CRHR1
SCHEMBL5844798 0.67 CRHR1 (0.49) CRHR1
SCHEMBL5843991 0.65 CRHR1 (0.69) CRHR1
SCHEMBL5843230 0.65 CRHR1 (0.61) CRHR1
SCHEMBL5843235 0.65 CRHR1 (0.61) CRHR1
SCHEMBL6804838 0.65 CRHR1 (0.49) 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-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed