SCHEMBL4429910

SCHEMBL4429910

N#Cc1ccc(CN2CCC(Oc3ccc(C(=O)NC4CCN(C(I)c5ccccc5)CC4)c(Cl)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.51
PRKAA2 P54646 10/20 0.51
PRKAB2 O43741 4/20 0.51
PRKAG1 P54619 4/20 0.51
PRKAA1 Q13131 4/20 0.51
PRKAG3 Q9UGI9 4/20 0.51
PRKAG2 Q9UGJ0 4/20 0.51
PRKAB1 Q9Y478 4/20 0.51
CYP3A4 P08684 1/20 0.51
HRH3 Q9Y5N1 4/20 0.51
HRH1 P35367 2/20 0.51
CCR3 P51677 2/20 0.51
KCNH2 Q12809 2/20 0.51

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
SCHEMBL2389715 0.91 SLC6A12 (0.62) SLC6A12PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL3665894 0.88 PRKAA2 (0.56) SLC6A12PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4434196 0.87 PRKAA2 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3663596 0.85 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2389022 0.85 SLC6A12 (0.58) SLC6A12PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL12226320 0.81 SLC6A12 (0.68) SLC6A12CYP3A4HRH3KCNH2
SCHEMBL4441461 0.81 KMT2A (0.64) SLC6A12CYP3A4CCR3
SCHEMBL2389604 0.78 KMT2A (0.65) SLC6A12PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL15171728 0.78 CCR3 (0.62) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61347 0.78 DRD4 (0.66) SLC6A12PRKAA2PRKAB2PRKAG1PRKAA1

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
EP-2079694-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE Rigel Pharmaceuticals, Inc. (US) 2009-07-22 EP claimed
WO-2008083124-A1 N-SUBSTITUTED-HETEROCYCLOALKYLOXYBENZAMIDE COMPOUNDS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2008-07-10 WO claimed