SCHEMBL4693231

SCHEMBL4693231

CCC(CC)c1cc(C)nn2c(-c3c(C)nc4c(CCCO)cccn34)c(C)nc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.45
CRHR2 Q13324 1/20 0.42
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
NR1I2 O75469 1/20 0.32
HSD11B1 P28845 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PSEN1 P49768 3/20 0.30
PSEN2 P49810 3/20 0.30
APH1B Q8WW43 3/20 0.30
NCSTN Q92542 3/20 0.30
APH1A Q96BI3 3/20 0.30
PSENEN Q9NZ42 3/20 0.30
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
SCHEMBL3964678 0.90 CRHR1 (0.48) CRHR1CRHR2ATP4AATP4BPSEN1
SCHEMBL3966664 0.84 CRHR1 (0.46) CRHR1CRHR2ATP4AATP4BPSEN1
SCHEMBL4693232 0.84 ATP4A (0.35) ATP4AATP4BNR1I2HSD11B1NR1H2
SCHEMBL3967917 0.83 CRHR1 (0.51) CRHR1CRHR2PSEN1PSEN2APH1B
SCHEMBL13763355 0.82 CRHR1 (0.48) CRHR1CRHR2SMPD3
SCHEMBL3968253 0.82 CRHR1 (0.48) CRHR1CRHR2SMPD3
SCHEMBL3962678 0.82 CRHR1 (0.48) CRHR1CRHR2SMPD3
SCHEMBL3966790 0.81 CRHR1 (0.49) CRHR1CRHR2SMPD3
SCHEMBL3971785 0.80 CRHR1 (0.45) CRHR1CRHR2PSEN1PSEN2APH1B
SCHEMBL13763354 0.80 CRHR1 (0.46) 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