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SCHEMBL4864863

SCHEMBL4864863

Cc1ccccc1N(C)CCCCN1CC(C(=O)c2cc(O)ccc2F)C(c2cccc(F)c2C)C(C(=O)[C@@H]2CN(CCCCN(C)c3ccccc3C)C[C@H](C(=O)c3cc(O)ccc3F)[C@@H]2c2cccc(F)c2C)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 7/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ KIF11 P52732 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ OPRM1 P35372 1/20 0.30

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
SCHEMBL4749258 0.90 KIF11 (0.35) HTR7ESR1GAAKIF11
SCHEMBL4749270 0.90 KIF11 (0.35) HTR7ESR1GAAKIF11
SCHEMBL4752017 0.82 KIF11 (0.40) KIF11OPRM1
SCHEMBL4027142 0.81 CYP2D6 (0.34) ESR1GAAKIF11
SCHEMBL4749341 0.80 KIF11 (0.35) HTR7KIF11
SCHEMBL4749343 0.80 KIF11 (0.35) HTR7KIF11
SCHEMBL4752081 0.79 KIF11 (0.35) HTR7KIF11
SCHEMBL4751358 0.79 KIF11 (0.35) HTR7KIF11
SCHEMBL4749505 0.79 KIF11 (0.35) HTR7KIF11
SCHEMBL4751736 0.79 KIF11 (0.35) HTR7KIF11

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 — — WO disclosed