SCHEMBL6299585

SCHEMBL6299585

c1ccc(COC[C@@H]2CNCCN2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.61
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRM3 P20309 1/20 0.43
CHRNA4 P43681 1/20 0.43
TACR1 P25103 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL17069 1.00 LTA4H (0.61) LTA4HBCHEACHELMNATSHR
SCHEMBL17070 1.00 LTA4H (0.61) LTA4HBCHEACHELMNATSHR
Hydrochloric Acid SCHEMBL16258 0.98 LTA4H (0.59) LTA4HBCHEACHELMNATSHR
Hydrochloric Acid SCHEMBL16259 0.98 LTA4H (0.59) LTA4HBCHEACHELMNATSHR
SCHEMBL3906686 0.86 BCHE (0.55) LTA4HBCHEACHELMNATSHR
SCHEMBL8935940 0.85 LTA4H (0.46) LTA4HBCHEACHELMNATSHR
SCHEMBL8935795 0.85 LTA4H (0.46) LTA4HBCHEACHELMNATSHR
SCHEMBL10517572 0.84 BCHE (0.54) LTA4HBCHEACHELMNATSHR
SCHEMBL10517566 0.84 BCHE (0.54) LTA4HBCHEACHELMNATSHR
SCHEMBL3495293 0.84 LTA4H (0.51) LTA4HBCHEACHELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed