SCHEMBL3925850

SCHEMBL3925850

CCC(CC)c1cc(C)nn2c(-c3sc(NC[C@@H]4CCCO4)nc3C)c(C)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.50
CRHR2 Q13324 1/20 0.50
HPGD P15428 10/20 0.44
HSD17B10 Q99714 7/20 0.44
HTT P42858 5/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 12/20 0.41
KDM4E B2RXH2 8/20 0.37
LMNA P02545 4/20 0.37
PI4KB Q9UBF8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 5/20 0.37
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL3930691 1.00 CRHR1 (0.50) CRHR1CRHR2HPGDHSD17B10HTT
SCHEMBL3925857 1.00 CRHR1 (0.50) CRHR1CRHR2HPGDHSD17B10HTT
SCHEMBL3930746 0.86 CRHR1 (0.52) CRHR1CRHR2HPGDALDH1A1LMNA
SCHEMBL13614548 0.82 CRHR1 (0.57) CRHR1CRHR2ALOX15
SCHEMBL3926510 0.81 CRHR1 (0.53) CRHR1CRHR2PI4KB
SCHEMBL3926829 0.80 CRHR1 (0.55) CRHR1CRHR2PI4KB
SCHEMBL3932532 0.80 CRHR1 (0.54) CRHR1CRHR2
SCHEMBL3932242 0.79 CRHR1 (0.56) CRHR1CRHR2LMNANPSR1
SCHEMBL3925880 0.79 CRHR1 (0.58) CRHR1CRHR2NFKB1NFKB2RELA
SCHEMBL3935105 0.79 CRHR1 (0.53) CRHR1CRHR2HPGDHSD17B10HTT

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-1869049-B1 IMIDAZOPYRIDAZINE COMPOUNDS LILLY CO ELI (US) 2009-03-04 EP disclosed