SCHEMBL5992143

SCHEMBL5992143

Cc1ccccc1-c1ccccc1CC(O)(c1ccccc1)C1CNCCO1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.78
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 4/20 0.35
SSTR4 P31391 1/20 0.35
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL14203100 0.91 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3SSTR4CYP2D6
SCHEMBL14203037 0.91 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3SSTR4CYP2D6
SCHEMBL5045901 0.91 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3SSTR4CYP2D6
Hydrochloric Acid SCHEMBL5045876 0.90 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3SSTR4CYP2D6
Hydrochloric Acid SCHEMBL5045880 0.90 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3SSTR4CYP2D6
Hydrochloric Acid SCHEMBL5447244 0.90 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3SSTR4CYP2D6
SCHEMBL14202975 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL14203005 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL8284213 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6438254 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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
EP-1660064-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed