SCHEMBL7444492

SCHEMBL7444492

Cn1ccnc1CNc1ccc(C(=N)N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 4/20 0.55
KLK5 Q9Y337 4/20 0.55
TRPM5 Q9NZQ8 1/20 0.49
PRSS1 P07477 10/20 0.46
F2 P00734 5/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
TMPRSS6 Q8IU80 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
F10 P00742 2/20 0.45
F7 P08709 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.42
SLC22A2 O15244 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PROC P04070 1/20 0.42
HPN P05981 1/20 0.42
NQO2 P16083 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42

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
SCHEMBL1473418 0.82 TRPM5 (0.50) TRPM5
SCHEMBL1473306 0.80 SMN1; SMN2 (0.53) TRPM5
SCHEMBL178407 0.79 TRPM5 (0.56) TRPM5
SCHEMBL22814101 0.78 TRPM5 (0.54) TRPM5
SCHEMBL3640996 0.77 TRPM5 (0.46) TRPM5
SCHEMBL7167511 0.77 PRSS1 (0.42) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL20843804 0.75 MAOA (0.52) TRPM5
SCHEMBL104554 0.75 TRPM5 (0.52) TRPM5
SCHEMBL7448685 0.75 SMN1; SMN2 (0.40) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL7446567 0.74 TRPM5 (0.51) TRPM5

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-0966454-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 1999-12-29 EP disclosed
WO-1998037075-A1 DISUBSTITUTED BICYCLIC HETEROCYCLES, THEIR PRODUCTION AND USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-08-27 WO disclosed