SCHEMBL4434196

SCHEMBL4434196

N#Cc1ccc(CN2CCC(Oc3c(Cl)cc(C(=O)NC4CCN(C(I)c5ccccc5)CC4)cc3Cl)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 13/20 0.51
PRKAB2 O43741 6/20 0.51
PRKAG1 P54619 6/20 0.51
PRKAA1 Q13131 6/20 0.51
PRKAG3 Q9UGI9 6/20 0.51
PRKAG2 Q9UGJ0 6/20 0.51
PRKAB1 Q9Y478 6/20 0.51
CYP3A4 P08684 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MCHR1 Q99705 2/20 0.49
UTS2R Q9UKP6 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL2390055 0.90 MCHR1 (0.59) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3665894 0.87 PRKAA2 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4429910 0.87 SLC6A12 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3663596 0.82 PRKAA2 (0.49) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4429895 0.81 UTS2R (0.65) MEN1KMT2AMCHR1UTS2R
SCHEMBL2390761 0.81 UTS2R (0.65) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4441461 0.81 KMT2A (0.64) CYP3A4MEN1KMT2AMCHR1
SCHEMBL2388559 0.80 DRD4 (0.63) CYP3A4MEN1KMT2AMCHR1UTS2R
SCHEMBL12227457 0.80 KMT2A (0.61) CYP3A4MEN1KMT2AMCHR1UTS2R
SCHEMBL4435309 0.79 POLB (0.61) MEN1KMT2AMCHR1UTS2R

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