SCHEMBL6847426

SCHEMBL6847426

COc1ccc(S(=O)(=O)NN2CC[C@@H](CCCOc3ccc(-c4ccccn4)cc3)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 1/20 0.43
GHSR Q92847 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL6846583 0.91 MMP1 (0.44) MEN1KMT2AGHSRALDH1A1HSD17B10
SCHEMBL6848767 0.85 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6847808 0.84 HSD11B1 (0.42) MEN1KMT2ACYP1A2CYP2D6CYP19A1
SCHEMBL6842166 0.84 HRH1 (0.44) MEN1KMT2ACYP1A2CYP2D6CYP19A1
SCHEMBL6847423 0.84 NPSR1 (0.43) ADRA1AADRA1BNPSR1MEN1KMT2A
SCHEMBL6848187 0.83 ALDH1A1 (0.43) KMT2AALDH1A1CYP1A2CYP2D6CYP19A1
SCHEMBL6848161 0.81 HRH2 (0.51) ADRA1AADRA1BHDAC3HDAC4HDAC1
SCHEMBL5215703 0.77 HRH3 (0.51) ADRA1AADRA1BNPSR1MEN1KMT2A
SCHEMBL6846580 0.74 MMP1 (0.44) MEN1KMT2AALDH1A1HSD17B10CYP1A2
SCHEMBL6981316 0.72 HRH2 (0.44) HRH3

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 6 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
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 disclosed
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 disclosed