SCHEMBL7480559

SCHEMBL7480559

c1ccc(N2Cc3ccccc3C2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.76
GRIN3B O60391 7/20 0.76
GRIN1 Q05586 7/20 0.76
GRIN2A Q12879 7/20 0.76
GRIN2B Q13224 7/20 0.76
GRIN2C Q14957 7/20 0.76
GRIN3A Q8TCU5 7/20 0.76
PLD1 Q13393 1/20 0.55
KDM4E B2RXH2 2/20 0.49
CHRM1 P11229 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL20004240 0.87 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18611862 0.81 GRIN2B (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15800694 0.79 PLD1 (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21353591 0.79
SCHEMBL29857922 0.79 PLD1 (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8467309 0.79 GRIN2B (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20341634 0.78 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18611251 0.78 KDM4E (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12255130 0.77 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6125959 0.76 GRIN2D (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO disclosed