SCHEMBL5537883

SCHEMBL5537883

CCC1=C(C)N(CC)C(C)=CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
TSHR P16473 4/20 0.41
MAPT P10636 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
NFKB1 P19838 2/20 0.41
GMNN O75496 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CACNA1F O60840 6/20 0.41
CACNA1D Q01668 6/20 0.41
CACNA1S Q13698 6/20 0.41
CACNA1C Q13936 6/20 0.41
ADORA3 P0DMS8 1/20 0.41
ACHE P22303 1/20 0.39
HIF1A Q16665 3/20 0.38

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
SCHEMBL10469171 0.81 CYP1A2 (0.58) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL2996043 0.80 HTT (0.41) LMNAMAPTKMT2AMEN1MAPK1
SCHEMBL5534649 0.76 CACNA1D (0.39) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL3003408 0.73 MAPT (0.41) MAPTNPSR1ACHEKMT2AMEN1
SCHEMBL9847682 0.71 CACNA1F (0.41) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL7400532 0.71 CYP1A2 (0.46) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL30873727 0.71 CYP1A2 (0.57) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL3118873 0.70 CYP1A2 (0.44) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL7490712 0.68 LMNA (0.45) LMNATSHRMAPTCYP1A2CYP3A4
SCHEMBL9847680 0.68 LMNA (0.40) LMNATSHRMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed