SCHEMBL3934533

SCHEMBL3934533

CCC(CC)c1cc(C)nn2c(-c3sc(N(CC)CCOC)nc3C)c(C)nc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.51
CRHR2 Q13324 1/20 0.48
SMPD3 Q9NY59 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3923296 0.93 CRHR1 (0.50) CRHR1CRHR2LMNASMN1; SMN2
SCHEMBL3933538 0.91 CRHR1 (0.57) CRHR1CRHR2SMPD3
SCHEMBL3935062 0.90 CRHR1 (0.54) CRHR1CRHR2SMPD3
SCHEMBL3934077 0.89 CRHR1 (0.52) CRHR1CRHR2SMPD3
SCHEMBL3927796 0.86 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL3925879 0.84 CRHR1 (0.56) CRHR1CRHR2
SCHEMBL3924181 0.84 CRHR1 (0.58) CRHR1CRHR2
SCHEMBL3921435 0.83 CRHR1 (0.54) CRHR1CRHR2SMPD3
SCHEMBL3925940 0.82 CRHR1 (0.58) CRHR1CRHR2
SCHEMBL3931697 0.82 CRHR1 (0.56) 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 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