SCHEMBL27658726

SCHEMBL27658726

O=C(O)C1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.58
▸ S1PR5 Q9H228 3/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.56
▸ ACHE P22303 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ LTA4H P09960 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ S1PR4 O95977 1/20 0.53
▸ S1PR1 P21453 1/20 0.53
▸ S1PR3 Q99500 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CHRM3 P20309 1/20 0.51

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
SCHEMBL2073212 0.87 DRD2 (0.60) SIGMAR1S1PR5HRH3MEN1KMT2A
SCHEMBL1519223 0.86 MEN1 (0.69) SIGMAR1S1PR5ACHELTA4HMEN1
SCHEMBL13236630 0.85 S1PR5 (0.66) S1PR5HRH3ACHEBACE1S1PR4
SCHEMBL2925566 0.85 SIGMAR1 (0.60) SIGMAR1S1PR5HRH3LTA4HMEN1
SCHEMBL6994717 0.85 HTR2A (0.64) SIGMAR1S1PR5KDM4E
SCHEMBL24770743 0.85 ALDH1A1 (0.65) SIGMAR1S1PR5HRH3LTA4HMEN1
SCHEMBL12660139 0.85 KDM4E (0.64) SIGMAR1HRH3ACHEBACE1LTA4H
Hydrochloric Acid SCHEMBL2551741 0.85 MEN1 (0.68) SIGMAR1S1PR5ACHELTA4HMEN1
SCHEMBL22483727 0.84 KCNH2 (0.59) S1PR5LTA4HMEN1TSHRKMT2A
SCHEMBL4002837 0.82 SIGMAR1 (0.59) SIGMAR1S1PR5HRH3MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102056933-B Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV 2014-09-17 — — CN disclosed
CN-102056933-A Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV 2011-05-11 — — CN disclosed
CN-100591679-C Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV 2010-02-24 — — CN disclosed
CN-1860117-A Benzimidazole, benzthiazole and benzoxazole derivatives and their use as lta4h modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-08 — — CN disclosed
CN-1856490-A Benzimidazole, benzothiazole and benzoxazole derivatives and their use as LTA4H modulators JANSSEN PHARMACEUTICA NV (BE) 2006-11-01 — — CN disclosed
Send feedback