SCHEMBL9032190

SCHEMBL9032190

CCOC(=O)C(C(O)c1ccc(CC2CCCCCN2)s1)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 2/20 0.40
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 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
SCHEMBL9033022 0.87 POLB (0.37) SLC6A3SLC6A2SLC6A4ALDH1A1NPSR1
SCHEMBL9034907 0.84 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4ALDH1A1NPSR1
SCHEMBL9033398 0.82 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4ALDH1A1POLB
SCHEMBL8697840 0.81 POLB (0.37) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL9033059 0.79 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4HPGDRAB9A
SCHEMBL9033194 0.79 HRH3 (0.45) ALDH1A1NPSR1LMNAMAPTHPGD
SCHEMBL8697759 0.79 HRH3 (0.45) ALDH1A1NPSR1LMNAMAPTHPGD
SCHEMBL9034654 0.78 SLC6A2 (0.35) SLC6A3SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL9033707 0.75 POLB (0.38) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL9032746 0.71 POLB (0.39) ALDH1A1LMNAPOLB

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
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed