SCHEMBL16808323

SCHEMBL16808323

N=C(N)NCCCCCCCNCCCOc1ccc(C(=N)N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ F2 P00734 4/20 0.40
▸ ST14 Q9Y5Y6 4/20 0.40
▸ PRMT1 Q99873 3/20 0.40
▸ PLAU P00749 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ SLC22A2 O15244 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ TMPRSS2 O15393 1/20 0.40
▸ PTP4A3 O75365 1/20 0.40
▸ SLC22A3 O75751 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ S100B P04271 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ ADRA2A P08913 1/20 0.40

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
SCHEMBL16808183 0.97 PRMT1 (0.43) OPRM1OPRD1OPRK1F2ST14
SCHEMBL20036284 0.93 PRMT1 (0.41) OPRM1OPRD1OPRK1F2ST14
SCHEMBL20207674 0.92 F2 (0.40) OPRM1OPRD1OPRK1F2ST14
SCHEMBL18296413 0.90 PRMT1 (0.43) OPRM1OPRD1OPRK1F2ST14
SCHEMBL18282372 0.90 PRMT1 (0.43) OPRM1OPRD1OPRK1F2ST14
SCHEMBL20036309 0.89 OPRM1 (0.39) OPRM1OPRD1OPRK1F2ST14
SCHEMBL16808326 0.86 PRMT1 (0.40) OPRM1OPRD1OPRK1F2ST14
SCHEMBL18296396 0.85 FURIN (0.44) OPRM1OPRD1OPRK1F2ST14
SCHEMBL22120216 0.82 PRMT1 (0.58) OPRM1F2ST14PRMT1PLAU
SCHEMBL16808242 0.81 PRMT1 (0.64) OPRM1F2ST14PRMT1PLAU

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
WO-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 — — WO disclosed
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