SCHEMBL7987631

SCHEMBL7987631

O=C(N[C@@H]1CCN(CCCc2ccccc2)C1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 0.47
SIGMAR1 Q99720 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
GAS6 Q14393 1/20 0.40
DRD2 P14416 5/20 0.40
CXCR3 P49682 1/20 0.40
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL7986721 1.00 DRD4 (0.47) DRD4SIGMAR1FLT3TYRO3MERTK
SCHEMBL7986622 1.00 DRD4 (0.47) DRD4SIGMAR1FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7972397 0.99 DRD4 (0.46) DRD4SIGMAR1FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7989815 0.99 DRD4 (0.46) DRD4SIGMAR1FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7972322 0.99 DRD4 (0.46) DRD4SIGMAR1FLT3TYRO3MERTK
SCHEMBL7971899 0.95 DRD4 (0.52) DRD4SIGMAR1FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7971892 0.94 DRD4 (0.52) DRD4SIGMAR1FLT3TYRO3MERTK
SCHEMBL7971755 0.92 DRD4 (0.53) DRD4SIGMAR1FLT3TYRO3MERTK
Hydrochloric Acid SCHEMBL7983770 0.92 DRD4 (0.52) DRD4SIGMAR1FLT3TYRO3MERTK
SCHEMBL7983507 0.91 DRD4 (0.51) DRD4SIGMAR1FLT3TYRO3MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed