SCHEMBL3931980

SCHEMBL3931980

CCC(CC)c1cc(C)nn2c(-c3sccc3-c3nc(Cl)cs3)c(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.53
CRHR2 Q13324 1/20 0.52
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
SCHEMBL3931906 0.86 CRHR1 (0.58) CRHR1CRHR2SMPD3
SCHEMBL3920548 0.84 CRHR1 (0.60) CRHR1CRHR2SMPD3
SCHEMBL3930547 0.82 CRHR1 (0.54) CRHR1CRHR2SMPD3
SCHEMBL3931985 0.81 CRHR1 (0.50) CRHR1CRHR2SMPD3
SCHEMBL3923164 0.81 CRHR1 (0.57) CRHR1CRHR2SMPD3
SCHEMBL3923425 0.80 CRHR1 (0.56) CRHR1CRHR2SMPD3
SCHEMBL3923248 0.79 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL3931303 0.78 CRHR1 (0.52) CRHR1CRHR2SMPD3
SCHEMBL3921150 0.78 CRHR1 (0.52) CRHR1CRHR2SMPD3
SCHEMBL3931377 0.77 CRHR1 (0.52) 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 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