SCHEMBL13458595

SCHEMBL13458595

CC(C)=NC(=O)c1ccnc(CN2CCN(C(=O)c3ccc(NC(=O)NC4CCC4)c(F)c3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ACKR3 P25106 2/20 0.42
FASN P49327 3/20 0.41
EPHX2 P34913 5/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.38
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
PAK1 Q13153 1/20 0.37
FGFR4 P22455 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
SCHEMBL348308 0.89 ACKR3 (0.44) L3MBTL1ACKR3FASNEPHX2NPC1
SCHEMBL348806 0.88 L3MBTL1 (0.44) L3MBTL1ACKR3FASNEPHX2NPC1
SCHEMBL348309 0.88 KDM5C (0.45) L3MBTL1ACKR3FASNEPHX2NPC1
SCHEMBL347706 0.86 ACKR3 (0.43) L3MBTL1ACKR3FASNEPHX2NPC1
SCHEMBL347188 0.78 ALDH1A1 (0.44) L3MBTL1ACKR3FASNEPHX2NPC1
SCHEMBL13663360 0.78 NPC1 (0.39) L3MBTL1FASNEPHX2NPC1POLB
SCHEMBL347273 0.77 ALDH1A1 (0.43) L3MBTL1ACKR3FASNEPHX2NPC1
SCHEMBL13663431 0.77 TSHR (0.44) L3MBTL1ACKR3RAB9AALDH1A1KMT2A
SCHEMBL347099 0.77 PRKAA2 (0.44) L3MBTL1ACKR3EPHX2PRKAB2PRKAG1
SCHEMBL347189 0.77 ALDH1A1 (0.46) L3MBTL1ACKR3EPHX2NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010025179-A1 1-(4-UREIDOBENZOYL)PIPERAZINE DERIVATIVES N.V. ORGANON (NL) 2010-03-04 WO disclosed