SCHEMBL5695087

SCHEMBL5695087

[NH]C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.69
▸ EPHX1 P07099 1/20 0.63
▸ L3MBTL3 Q96JM7 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ HPGD P15428 1/20 0.61
▸ HSD11B1 P28845 1/20 0.60
▸ SIGMAR1 Q99720 1/20 0.58
▸ KMT2A Q03164 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ MGLL Q99685 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GRM5 P41594 1/20 0.54
▸ SLC18A3 Q16572 1/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL4003983 0.85 ACHE (0.73) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL4703329 0.84 KDM4E (0.61) ACHEEPHX1L3MBTL3L3MBTL1HSD11B1
SCHEMBL11616794 0.83 ACHE (0.71) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL10983933 0.83 ACHE (0.71) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL4003986 0.83 GRM5 (0.73) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL252026 0.82 HPGD (0.79) ACHEL3MBTL1HPGDSIGMAR1KMT2A
SCHEMBL7129676 0.82 HPGD (0.79) ACHEL3MBTL1HPGDSIGMAR1KMT2A
SCHEMBL17875071 0.81 EPHX1 (0.78) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL6580374 0.81 ACHE (0.69) ACHEEPHX1L3MBTL3L3MBTL1HPGD
SCHEMBL436168 0.81 ACHE (1.00) ACHEEPHX1L3MBTL3L3MBTL1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 — — EP claimed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 — — US claimed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 — — EP claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 — — WO claimed
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 — — EP disclosed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 — — US disclosed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 — — EP disclosed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 — — WO disclosed
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