SCHEMBL9768368

SCHEMBL9768368

O=C1Cc2cc(C(O)CN3CCC(Cc4ccc(F)cc4)CC3)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.60
GRIN1 Q05586 5/20 0.60
GMNN O75496 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
BLM P54132 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
KCNH2 Q12809 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47

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
SCHEMBL8547611 0.91 GRIN2B (0.61) GRIN2BGRIN1GMNNTP53CYP3A4
SCHEMBL9562529 0.82 KCNH2 (0.57) GRIN2BGRIN1GMNNTP53CYP3A4
SCHEMBL8301786 0.82 HTR1A (0.53) GRIN2BGRIN1HTR1ADRD2HTR2A
SCHEMBL8549047 0.81 GRIN1 (0.63) GRIN2BGRIN1MEN1KMT2AGRIN2D
Hydrochloric Acid SCHEMBL8542941 0.79 MEN1 (0.56) GRIN2BGRIN1GMNNCYP3A4NFKB1
SCHEMBL4671945 0.79 GRIN2B (0.58) GRIN2BGRIN1HTR1ADRD2HTR2A
SCHEMBL8548110 0.78 GRIN2B (0.64) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8544786 0.78 GRIN2B (0.59) GRIN2BGRIN1GMNNTP53CYP3A4
SCHEMBL9562326 0.77 KCNH2 (0.56) GRIN2BGRIN1GMNNTP53CYP3A4
SCHEMBL9768325 0.77 KCNH2 (0.61) GRIN2BGRIN1GMNNTP53CYP3A4

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
JP-2072173-A None JP disclosed
US-5034401-A Cardiovascular disorders or antiischemia agents SYNTHELABO (FR) 1991-07-23 US disclosed
JP-H0272173-A HETEROCYCLIC COMPOUND, ITS PRODUCTION AND ITS APPLICATION TO MEDICINE SYNTHELABO SA 1990-03-12 JP disclosed