SCHEMBL6167908

SCHEMBL6167908

CCCCCNc1nc(CC)c(-c2cc3c(cc2OS(=O)(=O)C(F)(F)F)CCCC3)nc1CC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
HTR1D P28221 2/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC2A1 P11166 1/20 0.31
DRD4 P21917 1/20 0.31
HTR5A P47898 1/20 0.31
PTGS2 P35354 1/20 0.31
NPY5R Q15761 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
SCHEMBL6167259 0.83 CRHR1 (0.44) CRHR1KDM4EALDH1A1HPGDTSHR
SCHEMBL6166676 0.83 CRHR1 (0.50) CRHR1
SCHEMBL6165056 0.83 CRHR1 (0.43) CRHR1KDM4EALDH1A1HPGDTSHR
SCHEMBL6168821 0.82 KDM4E (0.36) CRHR1KDM4EALDH1A1HPGDTSHR
SCHEMBL6166393 0.78 CRHR1 (0.42) CRHR1KDM4EALDH1A1HPGD
SCHEMBL6190734 0.78 CRHR1 (0.32) CRHR1DRD2DRD3HTR1DDRD4
SCHEMBL6165792 0.77 KDM4E (0.40) CRHR1KDM4EALDH1A1HPGD
SCHEMBL6169536 0.77 CRHR1 (0.41) CRHR1KDM4EALDH1A1HPGD
SCHEMBL6168203 0.72 KDM4E (0.43) CRHR1KDM4EALDH1A1HPGDTSHR
SCHEMBL6166551 0.72 KDM4E (0.43) CRHR1KDM4EALDH1A1HPGDTSHR

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-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 WO disclosed