SCHEMBL7839338

SCHEMBL7839338

CCCCOC(=O)OC(=O)C1(Cc2cccc([N+](=O)[O-])c2)CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 8/20 0.44
CACNA1D Q01668 8/20 0.44
CACNA1S Q13698 8/20 0.44
CACNA1C Q13936 8/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
RECQL P46063 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HIF1A Q16665 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL7839337 0.74 LMNA (0.46) CACNA1FCACNA1DCACNA1SCACNA1CSMN1; SMN2
SCHEMBL7845341 0.71 ELANE (0.37) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL3974762 0.68 RAB9A (0.44) SMN1; SMN2NPSR1LMNAALDH1A1TDP1
SCHEMBL6190022 0.67 L3MBTL1 (0.60) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL3389458 0.67 KMT2A (0.57) CACNA1FCACNA1DCACNA1SCACNA1CSMN1; SMN2
SCHEMBL7840126 0.67 MEN1 (0.50) SMN1; SMN2LMNAHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL7832311 0.67 SSTR4 (0.50) NPSR1LMNAHTTALDH1A1MAPT
SCHEMBL962133 0.66 OPRM1 (0.62) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL7570691 0.65 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1LMNAHTTALDH1A1
SCHEMBL1144551 0.65 MGLL (0.62) SMN1; SMN2LMNAALDH1A1TDP1MAPT

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
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed