SCHEMBL2648856

SCHEMBL2648856

NC(=O)NCC(=O)C(CC1CCCC1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
POLB P06746 1/20 0.39
GCK P35557 3/20 0.38
MEN1 O00255 1/20 0.38
DPEP1 P16444 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
CNR1 P21554 2/20 0.36

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
SCHEMBL6596618 0.85 MEN1 (0.44) KMT2AMEN1
SCHEMBL2648331 0.84 GCK (0.36) KMT2APOLBGCKMEN1
SCHEMBL2648154 0.83 GCK (0.53) KMT2AGCKMEN1
SCHEMBL2646654 0.82 KIF11 (0.40) KMT2AGCKMEN1
SCHEMBL2648283 0.81 SLC6A3 (0.43) GCKDPEP1
SCHEMBL2646446 0.80 KIF11 (0.40) KMT2AGCKMEN1
SCHEMBL6597500 0.78 METAP2 (0.42) KMT2AMEN1
SCHEMBL2646620 0.78 KMT2A (0.49) KMT2ANPC1RAB9AHDAC3HDAC1
SCHEMBL2648782 0.77 CTSD (0.40)
SCHEMBL2648209 0.77 CTSD (0.46) CNR1

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 8 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
CN-1151140-C Glucokinase activators - 2004-05-26 CN 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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN claimed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 CN 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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed