SCHEMBL9867040

SCHEMBL9867040

CN(C)CCCCc1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
TERT O14746 1/20 0.49
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
TAAR1 Q96RJ0 6/20 0.45
ALOX15 P16050 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL9866277 0.98 TBXAS1 (0.56) TBXAS1TERTHRH4HRH3TAAR1
SCHEMBL413787 0.94 TAAR1 (0.50) TBXAS1TERTHRH4HRH3TAAR1
SCHEMBL2148633 0.86 TAAR1 (0.49) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL3431746 0.85 TBXAS1 (0.66) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL28062565 0.83 TBXAS1 (0.69) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL503743 0.83 TBXAS1 (0.69) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL23397872 0.82 TAAR1 (0.50) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL9777191 0.81 TBXAS1 (0.60) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL3030817 0.80 TBXAS1 (0.56) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL89096 0.80 TBXAS1 (0.56) TBXAS1TERTTAAR1ALOX15HTR1A

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