SCHEMBL5819962

SCHEMBL5819962

CCCCOC(=O)C1CCN(c2cc(-c3ccc(-c4ccccc4CN4CCOCC4)cc3)nc3cc(OC)ccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MOK Q9UQ07 9/20 0.51
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ACP1 P24666 2/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL8270124 0.89 MOK (0.56) MOKPDE10AALDH1A1MEN1KMT2A
SCHEMBL5795314 0.84 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL5795770 0.82 ALDH1A1 (0.53) MOKALDH1A1MEN1KMT2ATDP1
SCHEMBL5794261 0.79 ALDH1A1 (0.57) PDE10AALDH1A1MEN1KMT2ATDP1
SCHEMBL5797448 0.75 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL8269894 0.74 KMT2A (0.50) PDE10AALDH1A1MEN1KMT2ATDP1
SCHEMBL8268928 0.72 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL8268372 0.71 MAPT (0.68) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL8270102 0.69 PDE10A (0.54) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL19475349 0.69 MOK (1.00) MOK

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
WO-2006034491-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
WO-2006034512-A2 PHENYL-SUBSTITUTED QUINOLINE AND QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed