SCHEMBL8567764

SCHEMBL8567764

CCc1cc(O)nc(N2CCc3ccccc3C2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.60
GRIN3B O60391 9/20 0.60
GRIN1 Q05586 9/20 0.60
GRIN2A Q12879 9/20 0.60
GRIN2B Q13224 9/20 0.60
GRIN2C Q14957 9/20 0.60
GRIN3A Q8TCU5 9/20 0.60
CHRM1 P11229 4/20 0.60
ADRA1D P25100 4/20 0.60
ADRA1A P35348 4/20 0.60
ADRA1B P35368 4/20 0.60
HRH4 Q9H3N8 1/20 0.43
CETP P11597 1/20 0.43
EED O75530 1/20 0.42
NUDT1 P36639 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8572631 0.85 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12844561 0.80 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8569637 0.78 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8569634 0.77 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8567264 0.76 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8572994 0.75 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8572968 0.75 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6440019 0.75 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6996868 0.75 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27410465 0.74 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-5750531-A ANTISECRETORY AGENTS FOR THE TREATMENT OF PEPTIC ULCER YUHAN CORPORATION (KR) 1998-05-12 US disclosed
EP-0775120-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-05-28 EP disclosed
WO-1996005177-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1996-02-22 WO disclosed