SCHEMBL3459037

SCHEMBL3459037

CCN(CC)C(=O)C1CCC[N+](C(=O)c2c3ccccc3cc3ccccc23)(C2CCNCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.47
ACACA Q13085 2/20 0.47
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.34
CCR1 P32246 1/20 0.34
OPRD1 P41143 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A4 P31645 3/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL6620194 0.85 CYP1A2 (0.37) ACACBACACAKDM4EALDH1A1HPGD
SCHEMBL3464553 0.81 NPC1 (0.44) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL6623086 0.81 RAB9A (0.36) ACACBACACALMNACCR1SLC6A4
SCHEMBL6620762 0.78 CCR1 (0.41) KDM4EALDH1A1POLBLMNACCR1
SCHEMBL6492751 0.77 LMNA (0.32) ACACBACACAKDM4EALDH1A1POLB
SCHEMBL6621919 0.73 OPRD1 (0.38) ACACBACACACCR1OPRD1OPRM1
SCHEMBL6622739 0.72 BCHE (0.33)
SCHEMBL6182717 0.67 NPC1 (0.46) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL6624779 0.66 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHPGDCYP3A4
SCHEMBL3458847 0.66 ACACB (0.49) ACACBACACAKDM4EALDH1A1POLB

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-1478437-A1 ACC INHIBITORS Pfizer Products Inc. (US) 2004-11-24 EP claimed
WO-2003072197-A1 ACC INHIBITORS PFIZER PRODUCTS INC. (US) 2003-09-04 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