SCHEMBL13037583

SCHEMBL13037583

N[C@H](CN1CCCC1)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.55
ALPG P10696 1/20 0.55
SLC6A3 Q01959 2/20 0.52
SLC6A2 P23975 1/20 0.52
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
RECQL P46063 2/20 0.46
DBH P09172 1/20 0.46
CHRM2 P08172 2/20 0.43
ADRA2B P18089 2/20 0.43
DRD3 P35462 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SLC6A4 P31645 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
OPRD1 P41143 1/20 0.42

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
SCHEMBL21729361 0.78 ALDH1A1 (0.56) KDM4ERECQLALDH1A1SMN1; SMN2HTT
SCHEMBL366128 0.75 ALDH1A1 (0.64) SLC6A3SLC6A2KDM4ECHRM2ADRA2B
SCHEMBL7094986 0.71 KDM4E (0.50) ALPGSLC6A3SLC6A2KDM4EGAA
SCHEMBL7523284 0.71 KDM4E (0.50) SLC6A3SLC6A2KDM4EGAARECQL
SCHEMBL7094989 0.71 KDM4E (0.50) ALPGSLC6A3SLC6A2KDM4EGAA
SCHEMBL15389372 0.70 CHRM2 (0.68) ALPLALPGSLC6A3SLC6A2CHRM2
SCHEMBL1755597 0.70 ALOX15 (0.47) ALPLALPGSLC6A3SLC6A2KDM4E
SCHEMBL10042343 0.70 KDM4E (0.65) ALPLALPGSLC6A3SLC6A2KDM4E
SCHEMBL10541477 0.69 ALPL (0.64) ALPLALPGKDM4EGAACHRM2
SCHEMBL21648644 0.69 TDP1 (0.56) ALPLALPGSLC6A3KDM4ERECQL

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-2266968-A2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2010-12-29 EP disclosed