SCHEMBL9867208

SCHEMBL9867208

CCOCCn1ccnc1CCCN(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL9866166 0.88 ALDH1A1 (0.36) ALDH1A1ADORA2AADORA2BPOLBKMT2A
SCHEMBL9866891 0.86 KDM4E (0.31) ALDH1A1KDM4E
SCHEMBL9867170 0.84 ALDH1A1 (0.38) ALDH1A1ADORA2AADORA2BPOLBKMT2A
SCHEMBL9866859 0.83 ALDH1A1 (0.37) SIGMAR1ALDH1A1POLBKMT2AHRH4
SCHEMBL8367322 0.82 ADORA2A (0.36) ALDH1A1ADORA2AADORA2BPOLBKMT2A
SCHEMBL9866983 0.82 ADORA2A (0.33) ALDH1A1ADORA2AADORA2BPOLBKMT2A
Hydrochloric Acid SCHEMBL8151433 0.81 TLR8 (0.36) ALDH1A1ADORA2AADORA2BPOLBKMT2A
SCHEMBL9866879 0.78 ALDH1A1 (0.42) ALDH1A1HRH3KDM4E
SCHEMBL13587988 0.78 TLR8 (0.39) ALDH1A1ADORA2AADORA2BPOLBKMT2A
SCHEMBL9866841 0.77 ALDH1A1 (0.41) ALDH1A1HRH3KDM4E

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
US-5011838-A Antiallergens, antihistamines DOMPE FARMACEUTICI S.P.A. (IT) 1991-04-30 US disclosed
EP-0397615-A2 Pharmacologically active 2-substituted 3-(2-ethoxyethyl) imidazo [4,5-b] pyridines and pharmaceutical compositions containing them DOMPE' FARMACEUTICI S.p.A. (IT) 1990-11-14 EP disclosed