SCHEMBL7036254

SCHEMBL7036254

CC(=O)N1C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
TACR1 P25103 1/20 0.41
AGTR2 P50052 1/20 0.40
ABCB1 P08183 1/20 0.39
PDPK1 O15530 1/20 0.38
MTOR P42345 1/20 0.38
NR1D1 P20393 1/20 0.38
SSTR4 P31391 2/20 0.37
SSTR5 P35346 2/20 0.37
HCRTR2 O43614 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL31103697 0.98 BCHE (0.47) BCHEACHETACR1AGTR2ABCB1
SCHEMBL31103847 0.88 ALDH1A1 (0.44) BCHEACHETACR1ABCB1PDPK1
SCHEMBL31103615 0.88 TACR1 (0.42) BCHEACHETACR1AGTR2ABCB1
SCHEMBL14199452 0.85 KLK7 (0.47) BCHEACHETACR1AGTR2ABCB1
SCHEMBL11445442 0.85 BCHE (0.47) BCHEACHEAGTR2SSTR4SSTR5
SCHEMBL7031703 0.85 BCHE (0.44) BCHEACHETACR1AGTR2PDPK1
SCHEMBL31103786 0.83 BCHE (0.41) BCHEACHETACR1AGTR2ABCB1
SCHEMBL7032891 0.81 BCHE (0.52) BCHEACHETACR1PDPK1MTOR
SCHEMBL31420955 0.80 ALDH1A1 (0.47) HCRTR2ALDH1A1
SCHEMBL25218303 0.78 NR1H2 (0.41) BCHEACHETACR1AGTR2SSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858335-B1 2-ALKYLPYRROLIDINES NOVO NORDISK AS (DK) 2003-03-12 EP disclosed
US-6451836-B1 Method of inhibiting liver glycogen phosphorylase with 2-alkylpyrrolidines NOVO NORDISK A/S (DK) 2002-09-17 US disclosed
EP-1040827-A2 Use of 2-alkylpyrrolidines for the treatment of diabetes NOVO NORDISK A/S (DK) 2000-10-04 EP disclosed
US-5854272-A 2-alkylpyrrolidines NOVO NORDISK A/S (DK) 1998-12-29 US disclosed
EP-0884050-A1 Use of 3,4-dihydroxy-2-hydroxymethylpyrrolidine for the treatment of diabetes NOVO NORDISK A/S (DK) 1998-12-16 EP disclosed
EP-0858335-A1 2-ALKYLPYRROLIDINES NOVO NORDISK A/S (DK) 1998-08-19 EP disclosed
WO-1997009040-A1 2-ALKYLPYRROLIDINES NOVO NORDISK A/S (DK) 1997-03-13 WO disclosed