SCHEMBL9033707

SCHEMBL9033707

CCC(N)C(O)c1ccc(CC2CCCCCN2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP2D6 P10635 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FDPS P14324 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
MLNR O43193 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31
FYN P06241 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL9034907 0.83 SLC6A3 (0.40) POLBCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8697840 0.78 POLB (0.37) POLBCYP2D6HRH3SLC6A2SLC6A4
SCHEMBL9032190 0.75 SLC6A3 (0.40) POLBSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9033022 0.75 POLB (0.37) POLBCYP2D6HRH3FDPSSLC6A2
SCHEMBL9033059 0.75 SLC6A3 (0.39) POLBCYP2D6FDPSSLC6A2SLC6A4
SCHEMBL9032746 0.73 POLB (0.39) POLBALDH1A1LMNACYP1A2TSHR
SCHEMBL9034654 0.72 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL9034695 0.72 CTSL (0.34) POLBMEN1ALDH1A1TSHRKMT2A
SCHEMBL8697765 0.70 HRH3 (0.43) HRH3ALDH1A1
SCHEMBL13265145 0.68 POLB (0.45) POLBMEN1ALDH1A1KMT2A

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