SCHEMBL5403210

SCHEMBL5403210

CCN(CC)[C@@H](CO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.48
NR1H3 Q13133 4/20 0.48
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
TRPA1 O75762 5/20 0.43
HTR2A P28223 2/20 0.43
HRH1 P35367 2/20 0.43
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
KCNH2 Q12809 1/20 0.43
AOC3 Q16853 2/20 0.42
SIGMAR1 Q99720 1/20 0.40
KCNA5 P22460 1/20 0.40
KDM4E B2RXH2 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL11701106 0.89 NR1H2 (0.43) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL2595023 0.83 LMNA (0.46) ALDH1A1MEN1KMT2ALMNATRPA1
SCHEMBL14018422 0.82 KDM4E (0.47) NR1H2NR1H3ALDH1A1LMNATRPA1
SCHEMBL28794563 0.82 KDM4E (0.47) NR1H2NR1H3ALDH1A1LMNATRPA1
Hydrochloric Acid SCHEMBL2455720 0.81 MEN1 (0.45) ALDH1A1MEN1KMT2ALMNAHTR2A
Bromide SCHEMBL6625831 0.81 MEN1 (0.45) NR1H2NR1H3ALDH1A1MEN1KMT2A
SCHEMBL3730187 0.79 MEN1 (0.44) NR1H2NR1H3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27845404 0.79 MEN1 (0.44) ALDH1A1MEN1KMT2ALMNAHTR2A
SCHEMBL17803383 0.79 TAAR1 (0.48) ALDH1A1MEN1KMT2ALMNAHTR2A
SCHEMBL17772935 0.79 PGR (0.47) ALDH1A1MEN1KMT2ALMNAHTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-20040116699-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-06-17 US disclosed
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed