SCHEMBL12642484

SCHEMBL12642484

CN1CCN(C(=O)C2CCN(Cc3ccc(O)cc3)CC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ALDH1A1 P00352 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL2793889 0.88 KMT2A (0.77) MEN1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL14456826 0.84 L3MBTL1 (0.57) L3MBTL1MEN1TSHRKMT2A
SCHEMBL8916029 0.82 ALDH1A1 (0.73) L3MBTL1MEN1TSHRKMT2AALDH1A1
SCHEMBL25499383 0.82 L3MBTL1 (0.61) L3MBTL1MEN1TSHRKMT2AALDH1A1
SCHEMBL24322009 0.79 L3MBTL1 (0.44) L3MBTL1MEN1TSHRKMT2AALDH1A1
SCHEMBL2477654 0.79 LMNA (0.67) ALDH1A1TP53KDM4EMAPTHRH3
SCHEMBL27658726 0.78 SIGMAR1 (0.58) L3MBTL1MEN1TSHRKMT2AALDH1A1
SCHEMBL3243725 0.77 L3MBTL1 (0.89) L3MBTL1MEN1TSHRKMT2AALDH1A1
SCHEMBL12660139 0.77 KDM4E (0.64) MEN1TSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL14456892 0.76 MEN1 (0.63) L3MBTL1MEN1TSHRKMT2AALDH1A1

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-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 — — EP disclosed
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