SCHEMBL4772352

SCHEMBL4772352

Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(CCO)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37
KIF11 P52732 1/20 0.37
RORC P51449 1/20 0.37
CCR5 P51681 1/20 0.36
SLC6A1 P30531 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4780207 1.00 L3MBTL1 (0.37) L3MBTL1KCNH2KIF11RORCCCR5
SCHEMBL4775780 0.93 KCNH2 (0.40) KCNH2KIF11RORCCCR5KMT2A
SCHEMBL4773635 0.93 KCNH2 (0.40) KCNH2KIF11RORCCCR5KMT2A
SCHEMBL4776377 0.91 KCNH2 (0.42) KCNH2KIF11RORCMEN1KMT2A
SCHEMBL4019541 0.89 KCNH2 (0.36) KCNH2KIF11RORCCCR5SLC6A1
SCHEMBL4772648 0.89 KIF11 (0.44) KCNH2KIF11RORCCCR5SLC6A1
SCHEMBL4019539 0.89 KCNH2 (0.36) KCNH2KIF11RORCCCR5SLC6A1
SCHEMBL4020618 0.88 KIF11 (0.41) L3MBTL1KCNH2KIF11RORCMEN1
SCHEMBL4026452 0.88 ALDH1A1 (0.40) MEN1KMT2AALDH1A1LMNA
SCHEMBL4776368 0.87 KIF11 (0.46) KCNH2KIF11RORCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed