SCHEMBL4695616

SCHEMBL4695616

CCC(CC)c1cc(C)nn2c(-c3[nH]c4cccc(F)c4c3C)c(C)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.52
CRHR2 Q13324 1/20 0.41
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PDE10A Q9Y233 1/20 0.31
HSP90AB1 P08238 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
TUBB4A P04350 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
SCHEMBL4692970 0.81 CRHR1 (0.68) CRHR1CRHR2PDE10ASMPD3
SCHEMBL3967448 0.78 CRHR1 (0.51) CRHR1CRHR2SMPD3
SCHEMBL4690130 0.77 CRHR1 (0.52) CRHR1CRHR2MEN1ALDH1A1KMT2A
SCHEMBL3965431 0.76 CRHR1 (0.53) CRHR1CRHR2MAPTPDE10ASMPD3
SCHEMBL3965673 0.75 CRHR1 (0.60) CRHR1CRHR2KDM4ESMPD3
SCHEMBL3966546 0.75 CRHR1 (0.52) CRHR1CRHR2PDE10ASMPD3
SCHEMBL5216342 0.73 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL3968860 0.73 CRHR1 (0.52) CRHR1CRHR2SMPD3
SCHEMBL3965762 0.72 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL3967414 0.72 CRHR1 (0.52) 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 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