SCHEMBL489072

SCHEMBL489072

Cc1ccc(B(O)O)c(C)n1.N#Cc1ccc(B(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.59
ALDH1A1 P00352 2/20 0.37
CA2 P00918 2/20 0.37
CYP2A6 P11509 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GAA P10253 1/20 0.33
P4HB P07237 1/20 0.32
EGLN2 Q96KS0 1/20 0.32

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
SCHEMBL489376 0.79 CCR1 (0.40) ALDH1A1CA2LPLLIPG
SCHEMBL30788696 0.79 CCR1 (0.40) ALDH1A1CA2LPLLIPG
SCHEMBL6016 0.77 ENPP2 (1.00) ENPP2ALDH1A1CA2CYP2A6LPL
SCHEMBL489235 0.74 ENPP2 (0.58) ENPP2ALDH1A1CA2CYP2A6LPL
SCHEMBL15333016 0.72 ENPP2 (0.86) ENPP2ALDH1A1CA2CYP2A6LPL
SCHEMBL29091391 0.72 ENPP2 (0.86) ENPP2ALDH1A1CA2CYP2A6LPL
SCHEMBL9385634 0.71 CYP11B2 (0.47) ALDH1A1CYP2A6HSD11B1GAA
SCHEMBL75729 0.67 ENPP2 (0.76) ENPP2ALDH1A1CA2LMNACA12
SCHEMBL2696908 0.67 ENPP2 (0.76) ENPP2ALDH1A1CA2CYP2A6LPL
SCHEMBL2230653 0.67 ENPP2 (0.76) ENPP2ALDH1A1CA2LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106088-B2 Fused bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-01-31 US disclosed
EP-2311831-A1 Fused bicyclic-substituted amines as histamine-3 receptor ligands Abbott Laboratories (US) 2011-04-20 EP disclosed
EP-1620434-B1 FUSED BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LAB (US) 2011-03-09 EP disclosed