SCHEMBL4048160

SCHEMBL4048160

COc1ccc(CN(C)CCc2ccc(NC(=O)c3ccccc3N)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.58
▸ BCHE P06276 2/20 0.53
▸ ACHE P22303 2/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ OPRM1 P35372 3/20 0.49
▸ TMEM97 Q5BJF2 3/20 0.49
▸ SIGMAR1 Q99720 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ OPRK1 P41145 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL7168899 0.94 ABCB1 (0.59) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL4048156 0.91 BCHE (0.54) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL7168892 0.85 CYP3A4 (0.55) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL8807941 0.81 ABCB1 (0.57) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL8806840 0.80 ACHE (0.56) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL8809261 0.80 BCHE (0.45) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL8789541 0.80 ABCG2 (0.65) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL8807951 0.80 BCHE (0.45) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL8790220 0.80 ABCG2 (0.53) ABCB1ABCG2BCHEACHEMEN1
SCHEMBL8807050 0.79 ABCB1 (0.45) ABCB1ABCG2BCHEACHEMEN1

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-1506188-B1 PROCESS FOR THE PREPARATION OF A HYDRATE OF AN ANTHRANILIC ACID DERIVATIVE XENOVA LTD (GB) 2009-02-25 — — EP disclosed
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