SCHEMBL4690079

SCHEMBL4690079

[O]CC1COCCN1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ MAOB P27338 1/20 0.38

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
SCHEMBL1194198 0.88 LTA4H (0.41) LTA4HSIGMAR1
SCHEMBL2459174 0.86 LTA4H (0.42) LTA4HSIGMAR1
SCHEMBL2459177 0.86 LTA4H (0.42) LTA4HSIGMAR1
SCHEMBL14995124 0.86 — —
SCHEMBL6133030 0.84 LTA4H (0.44) LTA4HSIGMAR1
SCHEMBL22792813 0.84 LTA4H (0.44) LTA4HSIGMAR1
SCHEMBL7021205 0.84 LTA4H (0.41) LTA4HSIGMAR1MAOB
SCHEMBL1880066 0.84 SIGMAR1 (0.47) LTA4HSIGMAR1
SCHEMBL945183 0.84 SIGMAR1 (0.47) LTA4HSIGMAR1
Hydrochloric Acid SCHEMBL9674234 0.84 LTA4H (0.41) LTA4HSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 — — EP disclosed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 — — US disclosed
Send feedback