SCHEMBL6683935

SCHEMBL6683935

C(#CC1C2CC3CC(C2)CC1(c1ccccc1)C3)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
APP P05067 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
FPR1 P21462 1/20 0.32
P2RX7 Q99572 1/20 0.31
KCNH2 Q12809 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4607913 0.72 P2RX7 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3845676 0.72 APP (0.35) APPALDH1A1LMNAKCNH2
SCHEMBL28313136 0.70 MAOB (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6687826 0.70 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6762049 0.70 NPC1 (0.33) APPALDH1A1HPGD
SCHEMBL27699588 0.70 APP (0.42) APPKCNH2
SCHEMBL5561167 0.69 KDM1A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6765794 0.68
SCHEMBL6684731 0.67 LMNA (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5475255 0.67 HSD11B1 (0.44) ALDH1A1LMNAP2RX7HPGD

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-1465937-A1 ORGANIC COMPOSITIONS Honeywell International Inc. (US) 2004-10-13 EP disclosed
EP-1466355-A2 ORGANIC COMPOSITIONS Honeywell International Inc. (US) 2004-10-13 EP disclosed
WO-2003061029-A2 ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-07-24 WO disclosed
WO-2003059984-A1 ORGANIC COMPOSITIONS HONEYWELL INTERNATIONAL INC. (US) 2003-07-24 WO disclosed