SCHEMBL5216342

SCHEMBL5216342

CCC(CC)c1cc(C)nn2c(-c3[nH]c(Br)nc3C)c(C)nc12

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.49
CRHR2 Q13324 1/20 0.46
SMPD3 Q9NY59 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
SCHEMBL3965673 0.83 CRHR1 (0.60) CRHR1CRHR2SMPD3
SCHEMBL5209540 0.81 CRHR1 (0.48) CRHR1CRHR2
SCHEMBL5209535 0.81 CRHR1 (0.50) CRHR1CRHR2
SCHEMBL5213703 0.79 CRHR1 (0.43) CRHR1CRHR2
SCHEMBL3964552 0.78 CRHR1 (0.56) CRHR1CRHR2SMPD3
SCHEMBL3965066 0.78 CRHR1 (0.56) CRHR1CRHR2SMPD3
SCHEMBL13614761 0.78 CRHR1 (0.59) CRHR1CRHR2
SCHEMBL3970535 0.77 CRHR1 (0.55) CRHR1CRHR2SMPD3
SCHEMBL3920973 0.77 CRHR1 (0.61) CRHR1CRHR2SMPD3
SCHEMBL3927749 0.76 CRHR1 (0.60) 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-1869049-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2007-12-26 EP disclosed
WO-2006102194-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-28 WO disclosed