SCHEMBL2648331

SCHEMBL2648331

CSc1ccc(C(CC2CCCC2)C(=O)CNC(N)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CTSK P43235 3/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FPR2 P25090 2/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
CCR2 P41597 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2646654 0.86 KIF11 (0.40) GCKMEN1KMT2AEPHX2SLC6A4
SCHEMBL2648856 0.84 KMT2A (0.42) GCKMEN1KMT2APOLB
SCHEMBL2648154 0.82 GCK (0.53) GCKMEN1KMT2AEPHX1
SCHEMBL6596618 0.82 MEN1 (0.44) MEN1KMT2ACTSKMETAP2METAP1
SCHEMBL28819817 0.81 SLC6A4 (0.40) GCKMEN1KMT2ACTSKEPHX1
SCHEMBL2646161 0.79 AKR1C3 (0.40) GCKMEN1KMT2ACTSKALDH1A1
SCHEMBL12742235 0.79 GCK (0.38) GCKMEN1KMT2ACTSKEPHX1
SCHEMBL1107404 0.79 AKR1C3 (0.40) GCKMEN1KMT2ACTSKALDH1A1
SCHEMBL2645258 0.79 ESR1 (0.40) GCKALDH1A1HPGD
SCHEMBL2648283 0.79 SLC6A3 (0.43) GCKMETAP2LMNASLC6A4

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-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed