SCHEMBL4775780

SCHEMBL4775780

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
KIF11 P52732 4/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL4773635 0.98 KCNH2 (0.40) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4780207 0.93 L3MBTL1 (0.37) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4772352 0.93 L3MBTL1 (0.37) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4780721 0.90 KIF11 (0.46) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4776368 0.90 KIF11 (0.46) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4776377 0.88 KCNH2 (0.42) KCNH2KIF11ALDH1A1LMNAKMT2A
SCHEMBL4778087 0.88 KIF11 (0.47) KCNH2KIF11
SCHEMBL4772529 0.88 KCNH2 (0.43) KCNH2ALDH1A1KMT2A
SCHEMBL4780151 0.88 KCNH2 (0.43) KCNH2ALDH1A1KMT2A
SCHEMBL4019541 0.87 KCNH2 (0.36) KCNH2KIF11ALDH1A1LMNAKMT2A

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 4 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 claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
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