SCHEMBL20036303

SCHEMBL20036303

C=NC(=N)N(C)CCCCCCCCNC(=N)NCCCOc1ccc(C(=N)N)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 2/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ FURIN P09958 1/20 0.35
▸ PRSS1 P07477 7/20 0.33
▸ F2 P00734 4/20 0.33
▸ ST14 Q9Y5Y6 4/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ TMPRSS6 Q8IU80 2/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ PRMT1 Q99873 3/20 0.32
▸ PLAU P00749 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ TMPRSS2 O15393 1/20 0.32

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
SCHEMBL18296396 0.82 FURIN (0.44) OPRM1OPRD1OPRK1FURINPRSS1
SCHEMBL20207674 0.81 F2 (0.40) OPRM1OPRD1OPRK1FURINPRSS1
SCHEMBL18282372 0.79 PRMT1 (0.43) OPRM1OPRD1OPRK1FURINPRSS1
SCHEMBL18296413 0.79 PRMT1 (0.43) OPRM1OPRD1OPRK1FURINPRSS1
SCHEMBL18296764 0.75 PRSS1 (0.57) OPRM1PRSS1F2ST14PRMT1
SCHEMBL16808323 0.74 OPRM1 (0.42) OPRM1OPRD1OPRK1PRSS1F2
SCHEMBL16808326 0.73 PRMT1 (0.40) OPRM1OPRD1OPRK1FURINPRSS1
SCHEMBL16808183 0.72 PRMT1 (0.43) OPRM1OPRD1OPRK1PRSS1F2
SCHEMBL22120216 0.71 PRMT1 (0.58) OPRM1PRSS1F2ST14PRMT1
SCHEMBL20036284 0.70 PRMT1 (0.41) OPRM1OPRD1OPRK1PRSS1F2

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-3305759-A1 GUANIDINE COMPOUND AND BACTERICIDE Nippon Soda Co., Ltd. (JP) 2018-04-11 — — EP disclosed
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