SCHEMBL3458847

SCHEMBL3458847

CCN(CC)C(=O)C1CCCN(C2CCNCC2)C1C(=O)c1c2ccccc2cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.49
ACACA Q13085 8/20 0.49
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 1/20 0.35
TSPO P30536 1/20 0.35
HPGD P15428 1/20 0.34
KDM2B Q8NHM5 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3464157 1.00 ACACB (0.49) ACACBACACAPOLBKDM4ELMNA
SCHEMBL3462990 1.00 ACACB (0.49) ACACBACACAPOLBKDM4ELMNA
SCHEMBL3464303 1.00 ACACB (0.49) ACACBACACAPOLBKDM4ELMNA
SCHEMBL6620201 0.88 ACACB (0.38) ACACBACACAKDM2B
SCHEMBL6621570 0.85 ACACB (0.39) ACACBACACAKDM4EHPGDKDM2B
SCHEMBL6624171 0.83 SLC6A4 (0.36) ACACBACACAOPRM1KDM2B
SCHEMBL3465044 0.66 ACACB (1.00) ACACBACACAPOLBKDM4ELMNA
SCHEMBL977942 0.66 ACACB (1.00) ACACBACACAPOLBKDM4ELMNA
SCHEMBL3462988 0.66 ACACB (1.00) ACACBACACAPOLBKDM4ELMNA
SCHEMBL3459037 0.66 ACACB (0.47) ACACBACACAPOLBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150265-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM Neuera Pharmaceuticals, Inc. (US) 2010-02-10 EP claimed
WO-2008140828-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM ACCERA, INC. (US) 2008-11-20 WO claimed
EP-2150265-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM Neuera Pharmaceuticals, Inc. (US) 2010-02-10 EP disclosed
WO-2008140828-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOR TREATMENT OF NEURONAL HYPOMETABOLISM ACCERA, INC. (US) 2008-11-20 WO disclosed
EP-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP disclosed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed