SCHEMBL29700710

SCHEMBL29700710

CN(C)CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 1.00
HRH3 Q9Y5N1 2/20 1.00
SLC6A9 P48067 7/20 0.73
SLC6A2 P23975 4/20 0.68
SLC6A3 Q01959 4/20 0.68
KCNK2 O95069 2/20 0.68
KCNH2 Q12809 2/20 0.68
CACNA1C Q13936 2/20 0.68
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
LMNA P02545 4/20 0.67
NPC1 O15118 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C19 P33261 2/20 0.67
MTOR P42345 2/20 0.67
RAB9A P51151 2/20 0.67
CYP3A4 P08684 2/20 0.67
HTR2C P28335 2/20 0.67
KDM4E B2RXH2 1/20 0.67
TP53 P04637 1/20 0.67

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
SCHEMBL679320 1.00 SLC6A4 (1.00) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
Oxalic Acid SCHEMBL7317614 0.94 SLC6A4 (0.88) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL17267556 0.91 SLC6A4 (0.83) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL17267540 0.90 SLC6A4 (0.81) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL5570738 0.89 SLC6A4 (0.81) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8971141 0.89 SLC6A4 (0.81) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL10076387 0.88 SLC6A4 (0.79) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL7943264 0.88 SLC6A4 (0.79) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL11925287 0.88 SLC6A4 (0.79) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL3415108 0.88 SLC6A4 (0.78) SLC6A4HRH3SLC6A9SLC6A2SLC6A3

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
CN-114736134-B (R) -beta-hydroxyaryl propionamide derivative and preparation method thereof 浙江工业大学台州研究院 2023-06-06 CN disclosed
CN-114736134-A (R) -beta-hydroxyaryl propionamide derivative and preparation method thereof 浙江工业大学台州研究院 2022-07-12 CN disclosed