SCHEMBL3930746

SCHEMBL3930746

CCC(CC)c1cc(C)nn2c(-c3sc(NCC4CC4)nc3C)c(C)nc12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.52
CRHR2 Q13324 1/20 0.51
PI4KB Q9UBF8 10/20 0.35
ACHE P22303 3/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL13614548 0.88 CRHR1 (0.57) CRHR1CRHR2
SCHEMBL3925850 0.86 CRHR1 (0.50) CRHR1CRHR2PI4KBMEN1ALDH1A1
SCHEMBL3925857 0.86 CRHR1 (0.50) CRHR1CRHR2PI4KBMEN1ALDH1A1
SCHEMBL3930691 0.86 CRHR1 (0.50) CRHR1CRHR2PI4KBMEN1ALDH1A1
SCHEMBL3926510 0.86 CRHR1 (0.53) CRHR1CRHR2PI4KBACHE
SCHEMBL3926829 0.86 CRHR1 (0.55) CRHR1CRHR2PI4KB
SCHEMBL3932532 0.85 CRHR1 (0.54) CRHR1CRHR2MKNK1
SCHEMBL3925880 0.84 CRHR1 (0.58) CRHR1CRHR2
SCHEMBL3935105 0.84 CRHR1 (0.53) CRHR1CRHR2ALDH1A1LMNAHPGD
SCHEMBL3926385 0.83 CRHR1 (0.57) CRHR1CRHR2

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