SCHEMBL9867321

SCHEMBL9867321

c1c[nH]c(CCCN2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
SIGMAR1 Q99720 3/20 0.47
POLB P06746 1/20 0.47
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
TBXAS1 P24557 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL7145906 0.90 ALOX15 (0.51) ALOX15SIGMAR1POLBHTR1DHTR1B
SCHEMBL9866240 0.85 ALOX15 (0.53) ALOX15HTR1DHTR1BTBXAS1KCNH2
SCHEMBL7100019 0.84 ALOX15 (0.51) ALOX15HTR1DHTR1BTBXAS1CYP1A2
SCHEMBL7278898 0.80 ALOX15 (0.76) ALOX15HTR1DHTR1BHTTKMT2A
SCHEMBL27279466 0.78 ALOX15 (0.49) ALOX15SIGMAR1HTR1DHTR1BTBXAS1
SCHEMBL8776471 0.77 HTR1A (0.56) ALOX15HTR2AHRH3
SCHEMBL18325474 0.75 ALOX15 (0.67) ALOX15HTR1DHTR1BKMT2AALDH1A1
SCHEMBL7455224 0.73 ALOX15 (0.55) ALOX15SIGMAR1TBXAS1CYP1A2KCNH2
SCHEMBL3431746 0.73 TBXAS1 (0.66) ALOX15TBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9777191 0.73 TBXAS1 (0.60) ALOX15TBXAS1ALDH1A1SMN1; SMN2

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