SCHEMBL8750814

SCHEMBL8750814

N#CNC(=NCCc1ccccc1)c1cncc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.41
HRH2 P25021 2/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
NAMPT P43490 2/20 0.39
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
DDO Q99489 1/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2B P18089 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 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
SCHEMBL5044063 0.84 HTR3E (0.44) HRH4HRH2ALDH1A1SCN2A
SCHEMBL8521392 0.84 HTR3E (0.44) HRH4HRH2ALDH1A1SCN2A
SCHEMBL6377119 0.81 EPHX2 (0.48) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9214494 0.81 EPHX2 (0.48) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9214516 0.79 CFTR (0.45) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9214042 0.79 SMN1; SMN2 (0.40) HRH4NAMPTMEN1KMT2APOLB
SCHEMBL9214523 0.79 CFTR (0.45) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9214036 0.79 SMN1; SMN2 (0.40) HRH4NAMPTMEN1KMT2APOLB
SCHEMBL8750740 0.77 HRH4 (0.39) HRH4HRH2GRIN1GRIN2BNAMPT
SCHEMBL9211848 0.75 EPHX2 (0.52) HRH4HRH2NAMPTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP disclosed