SCHEMBL7877486

SCHEMBL7877486

CN(C(=N)N)C(=O)c1cc2cccc(Oc3cc(CN4CCCC4)ccn3)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
IDO1 P14902 1/20 0.35
SLC2A1 P11166 1/20 0.34
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
ALK Q9UM73 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL7956462 0.87 LOXL2 (0.41) IDO1TP53MAPT
SCHEMBL7877794 0.86 CCR8 (0.41)
SCHEMBL7877745 0.86 IDO1 (0.38) PARP1HRH4IDO1TP53LMNA
SCHEMBL7880752 0.86 ACHE (0.33) LMNAALKTLR7
SCHEMBL7873775 0.86 CCR8 (0.40) PARP1
SCHEMBL7877531 0.85 DRD2 (0.39) PARP1DRD2DRD3HRH4MAPT
SCHEMBL7879616 0.85 SLC6A4 (0.39) DRD2DRD3HRH4IDO1TP53
SCHEMBL7877507 0.85 HRH3 (0.39) PARP1DRD2DRD3HRH4MAPT
SCHEMBL7881379 0.84 TLR7 (0.36) TLR7
SCHEMBL7881920 0.84 TP53 (0.39) HRH4IDO1TP53LMNAMAPT

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-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed