SCHEMBL8915071

SCHEMBL8915071

NC(Cc1ccccn1)c1cc(F)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.54
GRIN2B Q13224 3/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
HRH1 P35367 2/20 0.41
RAB9A P51151 1/20 0.39
FDPS P14324 1/20 0.39
PTPRA P18433 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 2/20 0.36

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
SCHEMBL269523 0.74 DPP4 (0.47) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL4817799 0.72 PSEN1 (0.52) RAB9AKDM4EMEN1KMT2A
Lanicemine SCHEMBL29379976 0.71 GRIN2D (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Lanicemine SCHEMBL30415652 0.71 GRIN2D (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Lanicemine SCHEMBL13557819 0.71 GRIN2D (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Lanicemine SCHEMBL1422817 0.71 GRIN2D (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
Lanicemine SCHEMBL1650286 0.71 GRIN2D (1.00) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL6933088 0.71 GRIN2D (0.68) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL28913832 0.71 GRIN2D (0.54) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL11662559 0.70 DPP4 (0.45) DPP4DPP8

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
US-5606073-A INTERMEDIATES FOR ADENOSINE ANTAGONISTS EISAI CO., LTD. (JP) 1997-02-25 US disclosed
US-5541213-A ADENOSINE A1 RECEPTOR ANTAGONISTS, TREATMENT OF KIDNEY DISORDERS EISAI CO., LTD. (JP) 1996-07-30 US disclosed
EP-0630894-A1 Propenoic acid derivatives as adenosine A1 antagonists Eisai Co., Ltd. (JP) 1994-12-28 EP disclosed