SCHEMBL3848563

SCHEMBL3848563

O=[C]NCCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.57
DRD2 P14416 7/20 0.57
DRD3 P35462 7/20 0.57
HTR1B P28222 2/20 0.57
HTR1D P28221 1/20 0.57
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
KCNA3 P22001 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
RECQL P46063 2/20 0.49
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL6673795 0.94 DRD4 (0.60) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL9554727 0.89 MMP3 (0.51) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL5207889 0.81 DRD4 (0.53) DRD4DRD2DRD3L3MBTL1NPC1
SCHEMBL6678693 0.79 KCNA3 (0.44) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL8938905 0.76 DRD4 (0.91) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL9330194 0.76 DRD4 (0.62) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL2068241 0.74 KCNA3 (0.61) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL10476759 0.74 DRD4 (0.95) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL11452761 0.73 KCNA3 (0.67) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL6343524 0.73 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP claimed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP claimed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US claimed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed
EP-1979354-B1 DIAZA-SPIRO-[4, 5]-DECANES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-11 EP disclosed
WO-2004041799-A1 5- (SUBSTITUTED PHENYL) -THIADIAZOLIDINE-3-ONES AND THEIR USE AS PTP1B ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP disclosed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP disclosed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0152759-A1 Aminoisothiazole compounds BASF Aktiengesellschaft (DE) 1985-08-28 EP disclosed
EP-0150034-A2 Derivatives of 2-aminothiophene BASF Aktiengesellschaft (DE) 1985-07-31 EP disclosed
EP-0150034-A2 Derivatives of 2-aminothiophene BASF Aktiengesellschaft (DE) 1985-07-31 EP disclosed