SCHEMBL7013795

SCHEMBL7013795

CCC(CC)COc1nc2cc(Cl)c(N3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36
▸ PGK1 P00558 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ P2RY12 Q9H244 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CCR5 P51681 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
SCHEMBL6492161 0.85 OPRM1 (0.41) OPRM1OPRD1OGFRL1MAPTBACE1
SCHEMBL22749636 0.76 GPR119 (0.42) MAPTMEN1KMT2ATP53
SCHEMBL29796145 0.76 GPR119 (0.42) MAPTMEN1KMT2ATP53
SCHEMBL5544207 0.68 NPY2R (0.42) MAPTMEN1KMT2A
SCHEMBL22749600 0.66 MAPT (0.42) MAPTMEN1KMT2ATP53
SCHEMBL31211053 0.65 TP53 (0.41) MAPTTP53
SCHEMBL22723391 0.64 GPR119 (0.44) MAPTMEN1KMT2A
SCHEMBL24963657 0.64 GPR119 (0.44) OPRM1OPRD1OGFRL1MAPTCKS1B
SCHEMBL34471392 0.64 STS (0.37) OPRM1OPRD1OGFRL1MAPTMEN1
SCHEMBL31210361 0.64 LMNA (0.45) OPRM1OPRD1OGFRL1MAPTMEN1

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-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 — — EP disclosed
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