SCHEMBL6252226

SCHEMBL6252226

CC1CN(c2ccccc2/C=C2\SCCN(c3ccc(F)cc3)C2=O)CC(C)N1.CC1CN(c2ccccc2/C=C2\SCCN(c3ccc4c(c3)OCO4)C2=O)C(C)CN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
HTT P42858 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL5158376 0.91 HTR1A (0.42) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5158387 0.91 HTR1A (0.42) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5160674 0.87 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5160682 0.87 HTR1A (0.47) HTR1ASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5160666 0.84 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5160669 0.84 HTR1A (0.56) HTR1ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL5160684 0.83 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL5160679 0.83 HTR1A (0.48) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL5161842 0.79 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL5161851 0.79 HTR1A (0.44) HTR1ASLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005053701-A1 COMBINATION OF DOPAMINE AGONISTS AND ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER PRODUCTS INC. (US) 2005-06-16 WO disclosed