SCHEMBL9866875

SCHEMBL9866875

CCOCCn1ccnc1CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TLR8 Q9NR97 2/20 0.32
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL9866983 0.85 ADORA2A (0.33) ADORA2AADORA2BKMT2AALDH1A1POLB
SCHEMBL13587988 0.83 TLR8 (0.39) ADORA2AADORA2BKMT2AALDH1A1POLB
SCHEMBL9866166 0.82 ALDH1A1 (0.36) ADORA2AADORA2BKMT2AALDH1A1POLB
SCHEMBL8367322 0.82 ADORA2A (0.36) ADORA2AADORA2BKMT2AALDH1A1RAB9A
SCHEMBL9867170 0.81 ALDH1A1 (0.38) ADORA2AADORA2BKMT2AALDH1A1POLB
Hydrochloric Acid SCHEMBL8151433 0.81 TLR8 (0.36) ADORA2AADORA2BKMT2AALDH1A1POLB
SCHEMBL9866859 0.80 ALDH1A1 (0.37) KMT2AALDH1A1POLBHRH3
SCHEMBL10446524 0.79 ADORA2A (0.33) ADORA2AADORA2BKMT2AALDH1A1POLB
SCHEMBL31031273 0.78 MGMT (0.40)
SCHEMBL30660189 0.78 RAB9A (0.47) KMT2AALDH1A1RAB9AL3MBTL1MEN1

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