SCHEMBL27891719

SCHEMBL27891719

CCN(CC)CCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
HRH1 P35367 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 3/20 0.39
CNR2 P34972 5/20 0.39
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
GRK6 P43250 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL27908714 0.94 SLC6A4 (0.44) SLC6A4SLC6A2HRH1SIGMAR1KMT2A
SCHEMBL27891731 0.88 KDM4E (0.45) SIGMAR1KMT2AMEN1LMNAPOLB
SCHEMBL27891748 0.83 MEN1 (0.44) SLC6A4SLC6A2HRH1KMT2AMEN1
SCHEMBL27908716 0.83 ABCB1 (0.41) SLC6A4SLC6A2HRH1SIGMAR1KMT2A
SCHEMBL27891728 0.82 RCE1 (0.47) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL27908727 0.81 SLC6A4 (0.43) SLC6A4SLC6A2HRH1SIGMAR1KMT2A
SCHEMBL27908744 0.80 SLC6A4 (0.47) SLC6A4SLC6A2HRH1SIGMAR1KMT2A
SCHEMBL27891724 0.79 MCL1 (0.44) SLC6A4SLC6A2HRH1SIGMAR1KMT2A
SCHEMBL27908713 0.78 RCE1 (0.42) SLC6A4SLC6A2HRH1KDM4ECHRM2
SCHEMBL27921260 0.77 SIGMAR1 (0.46) SIGMAR1CNR2POLBALDH1A1

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
CN-102146080-B Beta-carboline alkali derivative compounds and application thereof XINJIANG HUASHIDAN PHARMACEUTICAL CO LTD 2013-01-30 CN claimed