SCHEMBL5828690

SCHEMBL5828690

CN1CCC(CO)CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
NCF1 P14598 1/20 0.31
BRD4 O60885 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
Acetic Acid SCHEMBL6190136 0.91 BRD4 (0.30) BRD4
SCHEMBL25802167 0.81 NCF1 (0.32) NCF1
SCHEMBL12604722 0.81 NCF1 (0.32) NCF1
SCHEMBL5828687 0.79 NCF1 (0.31) NCF1
SCHEMBL24069633 0.78 BRD4 (0.36) APLNRBRD4
SCHEMBL24070905 0.78 BRD4 (0.36) APLNRBRD4
SCHEMBL20794956 0.77
SCHEMBL18896104 0.73
SCHEMBL9813720 0.73 APLNR (0.44) APLNRBRD4
SCHEMBL17382102 0.71 GAA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441718-A4 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC (US) 2005-08-17 EP claimed
CN-1599607-A Methanol for treating nerve dysfunction ENDO PHARMACEUTICALS INC (US) 2005-03-23 CN claimed
EP-1441718-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION Endo Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
WO-2003032910-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC. (US) 2003-04-24 WO claimed
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed
EP-1441718-A4 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC (US) 2005-08-17 EP disclosed
CN-1599607-A Methanol for treating nerve dysfunction ENDO PHARMACEUTICALS INC (US) 2005-03-23 CN disclosed
EP-1441718-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION Endo Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
WO-2003032910-A2 CARBINOLS FOR THE TREATMENT OF NEUROPATHIC DYSFUNCTION ENDO PHARMACEUTICALS INC. (US) 2003-04-24 WO disclosed