SCHEMBL4453585

SCHEMBL4453585

CCN(CC)CCC1(c2ccccc2)CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.62
CHRM1 P11229 5/20 0.62
SLC6A4 P31645 3/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A3 Q01959 2/20 0.53
DRD3 P35462 1/20 0.51
PRCP P42785 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
DPP4 P27487 1/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.46
SLC22A1 O15245 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL14347878 0.85 CHRM2 (0.47) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL7185401 0.85 CHRM2 (0.78) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL8355804 0.81 CHRM2 (0.43) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL2089640 0.78 SLC6A4 (0.59) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL8353947 0.78 KCNH2 (0.42) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL14347820 0.77 CHRM2 (0.39) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL10607505 0.76 DPP4 (0.53) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL9330358 0.75 DPP4 (0.63) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL15568275 0.75 SLC6A4 (0.56) CHRM2CHRM1SLC6A4SLC6A2SLC6A3
SCHEMBL28280766 0.74 SLC6A4 (0.59) CHRM2CHRM1SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289021-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREVENTING, TREATING, OR REVERSING NEURONAL DYSFUNCTION VOLVOVITZ FRANKLIN (US) 2013-10-31 US disclosed
US-8299062-B2 Pharmaceutical compositions and methods for preventing, treating, or reversing neuronal dysfunction VOLVOVITZ FRANKLIN (US) 2012-10-30 US disclosed
US-20120264741-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR PREVENTING, TREATING, OR REVERSING NEURONAL DYSFUNCTION VOLVOVITZ FRANKLIN (US) 2012-10-18 US disclosed
US-20090048234-A1 Pharmaceutical compositions and methods for preventing, treating, or reversing neuronal dysfunction VOLVOVITZ FRANKLIN 2009-02-19 US disclosed
US-20080090808-A1 Pharmaceutical compositions and methods for preventing, treating, or reversing neuronal dysfunction VOLVOVITZ FRANKLIN 2008-04-17 US disclosed