SCHEMBL9344863

SCHEMBL9344863

O=S(=O)(NCCN1CCCN(CCCOc2ccc(F)cc2)CC1)c1ccc(Cl)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HTR1A P08908 7/20 0.46
HTR2A P28223 7/20 0.46
DRD2 P14416 6/20 0.46
DRD3 P35462 6/20 0.46
DRD1 P21728 4/20 0.46
KCNH2 Q12809 1/20 0.46
HRH1 P35367 4/20 0.45
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR7 P34969 5/20 0.44
DRD5 P21918 3/20 0.44
ADRA2C P18825 1/20 0.44
HTR6 P50406 3/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL9349900 0.92 TSHR (0.50) ALOX15TSHRHTR1AHTR2ADRD2
SCHEMBL9344888 0.92 TSHR (0.48) ALOX15TSHRHTR1AHTR2AHTR7
SCHEMBL9346847 0.92 TSHR (0.48) ALOX15TSHRHTR1AHTR2ADRD2
SCHEMBL9349813 0.89 TSHR (0.48) ALOX15TSHRHTR1AHTR2ADRD2
SCHEMBL9349856 0.86 HTR7 (0.49) ALOX15TSHRHTR1AHTR2ADRD2
SCHEMBL9344861 0.86 HTR1A (0.44) HTR1AHTR2ADRD2DRD3DRD1
SCHEMBL9345654 0.82 ALDH1A1 (0.50) ALOX15TSHRHTR1AHTR2ADRD2
SCHEMBL9345630 0.82 TSHR (0.48) ALOX15TSHRHTR1AHTR2ADRD2
SCHEMBL9345579 0.82 TSHR (0.51) ALOX15TSHRHTR1AHTR2ADRD2
SCHEMBL9398295 0.81 TSHR (0.53) ALOX15TSHRHTR1AHTR2ADRD2

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
US-5326870-A Asthma; bronchodilator agents; respiratory system disorders ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-05 US disclosed
EP-0525203-A1 SUBSTITUTED SULFONAMIDE DERIVATIVE OR PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-02-03 EP disclosed