SCHEMBL6846583

SCHEMBL6846583

COc1ccc(S(=O)(=O)NN2CC[C@@H](CCCOc3ccc(-c4ccccn4)cc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.41
NPY5R Q15761 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL6847426 0.91 ADRA1A (0.44) MMP1MMP9MMP13ADAM17CYP2C9
SCHEMBL6848767 0.91 CYP1A2 (0.41) MMP1MMP9MMP13ADAM17CYP2C9
SCHEMBL6847808 0.90 HSD11B1 (0.42) CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1
SCHEMBL6842166 0.84 HRH1 (0.44) CYP2C9CYP2C19CYP1A2CYP2D6CYP19A1
SCHEMBL6848187 0.83 ALDH1A1 (0.43) MMP1MMP9MMP13ADAM17CYP2C9
SCHEMBL6846580 0.82 MMP1 (0.44) MMP1MMP9MMP13ADAM17CYP2C9
SCHEMBL6849210 0.79 HRH2 (0.61) ALDH1A1HRH2HRH1HRH3RAB9A
SCHEMBL6981316 0.77 HRH2 (0.44) HRH2HRH1HRH3
SCHEMBL6987337 0.76 HRH2 (0.45) ALDH1A1HRH2HRH1HRH3
SCHEMBL6847679 0.76 GPR119 (0.48) HRH2HRH1GPR119HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 EP claimed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 WO claimed
EP-1467727-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2004-10-20 EP disclosed
WO-2003059341-A1 1,3-DISUBSTITUTED AND 1,3,3,-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-07-24 WO disclosed