SCHEMBL5695896

SCHEMBL5695896

CCC1(CCCO)CC2=C(CCC=C2)N(c2ccc(C)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.45
SLC6A4 P31645 2/20 0.42
ELANE P08246 1/20 0.38
HTR7 P34969 2/20 0.31
MGLL Q99685 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL5695900 0.78 SLC6A2 (0.47) SLC6A2SLC6A4ELANEHTR7POLB
SCHEMBL5215131 0.74 SLC6A2 (0.77) SLC6A2SLC6A4ELANE
SCHEMBL5968777 0.71 SLC6A2 (0.61) SLC6A2SLC6A4ELANE
SCHEMBL10816042 0.56 SMN1; SMN2 (0.49) SLC6A2ELANEPOLB
SCHEMBL5213642 0.56 SLC6A2 (0.66) SLC6A2SLC6A4ELANE
SCHEMBL1949985 0.54 LMNA (0.64) ELANEMGLLPOLB
SCHEMBL13226476 0.54 ELANE (0.64) ELANEMGLLPOLB
SCHEMBL13967214 0.53 ELANE (0.53) ELANEMGLLPOLB
SCHEMBL16395894 0.52 POLB (0.64) ELANEMGLLPOLB
SCHEMBL11862229 0.52 ALOX5 (0.46) SLC6A2ELANEHTR7MGLLPOLB

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-1660065-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed