SCHEMBL29698175

SCHEMBL29698175

c1ccc([C@H]2CCNCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2A P08913 3/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
SCN1A P35498 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KDM1A O60341 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
CISD1 Q9NZ45 1/20 0.39
MAOB P27338 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A3 Q01959 2/20 0.38

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
SCHEMBL3732127 1.00 SLC18A3 (0.50) SLC18A3SIGMAR1TSHRADRA2AMEN1
SCHEMBL31322262 0.82 SLC18A3 (0.53) SLC18A3SIGMAR1TSHRMEN1LMNA
SCHEMBL2962509 0.79 TSHR (0.54) SLC18A3SIGMAR1TSHRADRA2AMEN1
SCHEMBL1195857 0.73 TSHR (0.64) SLC18A3SIGMAR1TSHRADRA2AMEN1
SCHEMBL28721035 0.71 TSHR (0.48) SLC18A3SIGMAR1TSHRADRA2ASLC6A2
SCHEMBL21989278 0.71 TSHR (0.43) SLC18A3SIGMAR1TSHRADRA2ASLC6A2
SCHEMBL10846742 0.68 MAOB (0.45) SLC18A3SIGMAR1TSHRMEN1CYP2D6
SCHEMBL28414 0.68 TSHR (0.56) TSHRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL17414393 0.68 TSHR (0.56) TSHRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL9742553 0.68 GBA1 (0.55) SLC18A3SIGMAR1HRH1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605272-A Preparation method of (R) -fluoxetine and derivative thereof 中国科学技术大学 2022-06-10 CN disclosed