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SCHEMBL4774850

SCHEMBL4774850

Cc1ccc(C2[C@@H](C(=O)c3ccccc3)CN(CC(=O)N(C)C)C[C@@H]2C(=O)c2ccccc2)cc1.Cc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)CN(CC(=O)N(C)C)C[C@H]2C(=O)c2ccccc2)cc1.Cc1cccc(C2[C@@H](C(=O)c3ccccc3)CN(Cc3ccccc3)C[C@@H]2C(=O)c2ccccc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ SCN4A P35499 2/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ GAA P10253 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
SCHEMBL4776569 0.90 KIF11 (0.39) RORCGRIN2BKIF11
SCHEMBL4776575 0.90 KIF11 (0.39) RORCGRIN2BKIF11
SCHEMBL4020347 0.88 KIF11 (0.37) RORCALDH1A1ABCB1GRIN2BKIF11
SCHEMBL4020344 0.88 KIF11 (0.37) RORCALDH1A1ABCB1GRIN2BKIF11
SCHEMBL4024526 0.88 KIF11 (0.37) RORCALDH1A1ABCB1GRIN2BKIF11
SCHEMBL4018988 0.85 ALDH1A1 (0.43) RORCALDH1A1GAA
SCHEMBL4020502 0.85 ALDH1A1 (0.43) RORCALDH1A1GAA
SCHEMBL4018987 0.85 ALDH1A1 (0.43) RORCALDH1A1GAA
SCHEMBL4774146 0.81 DRD3 (0.38) GRIN2BKIF11DRD4
SCHEMBL4025031 0.81 LMNA (0.37) RORCALDH1A1GRIN2BDRD4

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