SCHEMBL15224315

SCHEMBL15224315

O=C(O)N1CCC(OCc2cncc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.45
ATM Q13315 1/20 0.42
LPL P06858 1/20 0.41
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
TACR1 P25103 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL16195735 0.89 CYP11B2 (0.56) CYP11B2ATMLPLLIPCLIPG
SCHEMBL15206496 0.83 GPR119 (0.50) CYP11B2MAPT
SCHEMBL2523420 0.81 CARM1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21409412 0.80 CARM1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16213037 0.79 CARM1 (0.45) CYP11B2LPLLIPCLIPGTACR1
SCHEMBL17555503 0.77 L3MBTL4 (0.43) CYP11B2ATML3MBTL4L3MBTL3L3MBTL1
SCHEMBL28265428 0.77 GRIN2D (0.39) CYP11B2LPLLIPCLIPGGRIN2D
SCHEMBL29277066 0.77 ITGB3 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16195547 0.75 CYP11B2 (0.44) CYP11B2TACR1SLC6A4KCNH2CARM1
SCHEMBL3984573 0.74 HMOX1 (0.41) LPLLIPCLIPGL3MBTL1GRIN2D

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
EP-2634176-A1 PYRIDINE DERIVATIVE AND MEDICINAL AGENT Nippon Shinyaku Co., Ltd. (JP) 2013-09-04 EP disclosed