SCHEMBL6847378

SCHEMBL6847378

N#Cc1ccc(-c2ccc(OCCC[C@@H]3CCN(NC(=O)c4cccnc4)C3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 11/20 0.46
HRH1 P35367 11/20 0.46
GAK O14976 1/20 0.42
STK16 O75716 1/20 0.42
PIM1 P11309 1/20 0.42
AXL P30530 1/20 0.42
NEK2 P51955 1/20 0.42
STK3 Q13188 1/20 0.42
STK11 Q15831 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
TNIK Q9UKE5 1/20 0.42
HRH3 Q9Y5N1 9/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.40
NAMPT P43490 1/20 0.39
PORCN Q9H237 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
SCHEMBL6986426 0.88 HRH2 (0.49) HRH2HRH1HRH3
SCHEMBL6846641 0.86 HRH2 (0.61) HRH2HRH1HRH3
SCHEMBL7134601 0.84 HRH2 (0.46) HRH2HRH1HRH3
SCHEMBL6984761 0.81 HRH2 (0.49) HRH2HRH1HRH3
SCHEMBL6842225 0.81 HRH2 (0.59) HRH2HRH1HRH3
SCHEMBL6986434 0.81 HRH3 (0.46) HRH2HRH1HRH3
SCHEMBL6987144 0.79 HRH3 (0.49) HRH2HRH1HRH3
SCHEMBL6983118 0.78 HRH3 (0.46) HRH2HRH1HRH3
SCHEMBL6980404 0.77 HRH3 (0.50) HRH2HRH1HRH3
SCHEMBL5213431 0.76 HRH3 (0.53) HRH2HRH1HRH3CYP11B1CYP11B2

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