SCHEMBL4693477

SCHEMBL4693477

CCCCCCCc1cc(C)nn2c(-c3sc4ccc(F)cc4c3C)c(C)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.67
PDE10A Q9Y233 7/20 0.34
DHODH Q02127 1/20 0.33
CRHR2 Q13324 1/20 0.33
XDH P47989 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
GHSR Q92847 1/20 0.31
HTR1A P08908 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4693619 1.00 CRHR1 (0.67) CRHR1PDE10ADHODHCRHR2XDH
SCHEMBL4695461 0.89 CRHR1 (0.58) CRHR1PDE10ADHODHADORA3PTGDR2
SCHEMBL4690737 0.88 CRHR1 (0.57) CRHR1PDE10ADHODHADORA3PTGDR2
SCHEMBL4690582 0.88 CRHR1 (0.53) CRHR1CRHR2ADORA3
SCHEMBL3963171 0.82 CRHR1 (0.84) CRHR1PDE10ACRHR2
SCHEMBL3967632 0.81 CRHR1 (1.00) CRHR1PDE10ACRHR2KDM4EMAPT
SCHEMBL4689862 0.80 CRHR1 (0.45) CRHR1PDE10AADORA3MAPTHPGD
SCHEMBL3970579 0.80 CRHR1 (0.87) CRHR1PDE10ACRHR2
SCHEMBL3967219 0.80 CRHR1 (0.71) CRHR1PDE10ACRHR2KDM4E
SCHEMBL13763358 0.80 CRHR1 (1.00) CRHR1PDE10ACRHR2

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-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed