SCHEMBL5024201

SCHEMBL5024201

O=C1OC2CNCC[N+]12Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GBA1 P04062 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
CTRB1 P17538 1/20 0.31
MC4R P32245 1/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
CTSF Q9UBX1 1/20 0.31
CHRM3 P20309 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
SCHEMBL4054436 0.66 GBA1 (0.34) SLC6A2SLC6A4SLC6A3GBA1CHRM3
SCHEMBL15722779 0.65 GBA1 (0.37) HTR2CSLC6A2SLC6A4SLC6A3GBA1
SCHEMBL15749661 0.64 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3GBA1
Bromide SCHEMBL15709541 0.63 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3GBA1
SCHEMBL6440687 0.62 HIF1A (0.47) SLC6A2SLC6A4SLC6A3GBA1
SCHEMBL6688133 0.62 SIGMAR1 (0.39) HTR2ASLC6A2SLC6A4SLC6A3GBA1
SCHEMBL4282417 0.61 EED (0.37) HTR2CSLC6A2SLC6A4SLC6A3GBA1
SCHEMBL6926932 0.61 SIGMAR1 (0.46) HTR2CSLC6A2SLC6A4SLC6A3GBA1
SCHEMBL7833641 0.61 CHRM3 (0.43) GBA1CHRM3
Hydrochloric Acid SCHEMBL10944858 0.60 SIGMAR1 (0.44) SLC6A2SLC6A4SLC6A3GBA1

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-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed