SCHEMBL4692970

SCHEMBL4692970

CCC(CC)c1cc(C)nn2c(-c3[nH]c4ccc(F)cc4c3C)c(C)nc12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.68
CRHR2 Q13324 1/20 0.43
PDE10A Q9Y233 2/20 0.36
MPO P05164 3/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
DRD4 P21917 1/20 0.31
XDH P47989 1/20 0.31
KIF11 P52732 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
SMPD3 Q9NY59 1/20 0.30
CNR1 P21554 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
SCHEMBL4690130 0.88 CRHR1 (0.52) CRHR1CRHR2MPOXDH
SCHEMBL4695616 0.81 CRHR1 (0.52) CRHR1CRHR2PDE10ASMPD3
SCHEMBL3967632 0.81 CRHR1 (1.00) CRHR1CRHR2PDE10ASMPD3
SCHEMBL3967745 0.78 CRHR1 (0.65) CRHR1CRHR2GAASMPD3
SCHEMBL3965673 0.76 CRHR1 (0.60) CRHR1CRHR2SMPD3
SCHEMBL3970579 0.74 CRHR1 (0.87) CRHR1CRHR2PDE10ASMPD3
SCHEMBL3965003 0.74 CRHR1 (0.60) CRHR1CRHR2PDE10ASMPD3
SCHEMBL3962744 0.74 CRHR1 (0.60) CRHR1CRHR2PDE10ASMPD3
SCHEMBL5216342 0.74 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL3968095 0.73 CRHR1 (0.59) CRHR1CRHR2SMPD3

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