SCHEMBL4690130

SCHEMBL4690130

CCC(CC)c1cc(C)nn2c(-c3[nH]c4ccc(Cl)cc4c3C)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 0.47
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
DPP4 P27487 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
TSPO P30536 1/20 0.32
MPO P05164 1/20 0.32
XDH P47989 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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 0.88 CRHR1 (0.68) CRHR1CRHR2MPOXDH
SCHEMBL3965264 0.81 CRHR1 (0.78) CRHR1CRHR2HTR6DPP4
SCHEMBL3964426 0.80 CRHR1 (0.47) CRHR1CRHR2DPP4HAVCR2ALDH1A1
SCHEMBL4695616 0.77 CRHR1 (0.52) CRHR1CRHR2MEN1ALDH1A1KMT2A
SCHEMBL3965673 0.76 CRHR1 (0.60) CRHR1CRHR2TSHR
SCHEMBL3966240 0.74 CRHR1 (0.48) CRHR1CRHR2DPP4MEN1ALDH1A1
SCHEMBL3966751 0.74 CRHR1 (0.48) CRHR1CRHR2DPP4MEN1ALDH1A1
SCHEMBL5216342 0.74 CRHR1 (0.49) CRHR1CRHR2
SCHEMBL3972191 0.73 CRHR1 (0.47) CRHR1CRHR2DPP4MEN1TSHR
SCHEMBL3964509 0.73 CRHR1 (0.47) CRHR1CRHR2DPP4ALDH1A1TSHR

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