SCHEMBL7839337

SCHEMBL7839337

CCCCOC(=O)N1CCC(Cc2cccc([N+](=O)[O-])c2)(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CNR1 P21554 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 5/20 0.42
SIGMAR1 Q99720 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL7840407 0.85 OPRD1 (0.48) LMNASMN1; SMN2NPSR1OPRD1OPRK1
SCHEMBL7840126 0.77 MEN1 (0.50) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL30996465 0.74 SLC6A2 (0.47) LMNASMN1; SMN2ALDH1A1HRH2HRH1
SCHEMBL30996468 0.74 SLC6A2 (0.47) LMNASMN1; SMN2ALDH1A1HRH2HRH1
SCHEMBL7839338 0.74 CACNA1F (0.44) LMNASMN1; SMN2CNR1HTTNPSR1
SCHEMBL3028258 0.73 ALDH1A1 (0.49) LMNASMN1; SMN2ALDH1A1HRH2HRH1
SCHEMBL2662019 0.71 ALDH1A1 (0.67) LMNASMN1; SMN2HTTNPSR1ALDH1A1
SCHEMBL8301729 0.71 MGLL (0.64) LMNASMN1; SMN2ALDH1A1HRH2HRH1
SCHEMBL7845340 0.71 OPRD1 (0.46) LMNASMN1; SMN2OPRD1OPRK1ALDH1A1
SCHEMBL7002207 0.70 ALDH1A1 (0.53) LMNASMN1; SMN2NPSR1OPRD1OPRK1

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