SCHEMBL5698956

SCHEMBL5698956

CC[C@@H](O)c1cccc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
SLC6A3 Q01959 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 2/20 0.42
HIF1A Q16665 3/20 0.42
GALR3 O60755 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRB3 P13945 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
NFKB1 P19838 1/20 0.41
DRD1 P21728 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL11595350 0.85 LMNA (0.70) LMNASLC6A3HIF1AGALR3ADRB2
SCHEMBL15241690 0.82 CYP3A4 (0.45) LMNASLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL7108194 0.82 SLC6A3 (0.40) LMNASLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL15051181 0.81 SLC6A3 (0.50) LMNASLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL15051180 0.81 SLC6A3 (0.50) LMNASLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL15050279 0.81 SLC6A3 (0.50) LMNASLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL15050281 0.81 SLC6A3 (0.50) LMNASLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL15050282 0.81 SLC6A3 (0.50) LMNASLC6A3CYP3A4CYP2D6SLC6A2
SCHEMBL8663098 0.80 MAPK1 (0.44) LMNACYP3A4HIF1ATSHRNFKB1
SCHEMBL7153611 0.80 PNMT (0.56) LMNASLC6A3CYP3A4CYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118879823-A Synthesis method of (R) -3-halogenated phenylpropanol 四川新迪生物制药有限公司 2024-11-01 CN disclosed
EP-1689719-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2006-08-16 EP disclosed
EP-1567501-A1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2005054202-A1 7-PHENYL-ISOQUINOLINE-5-SULFONYLAMINO DERIVATIVES AS INHIBITORS OF AKT (PROTEINKINASE B) ELI LILLY AND COMPANY (US) 2005-06-16 WO disclosed
WO-2004043931-A1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
EP-1397129-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094262-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed