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SCHEMBL4751963

SCHEMBL4751963

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCCCN(C)C)CC1C(=O)[C@@H]1CN(CCCCCN(C)C)C[C@H](C(=O)c2cccc(O)c2)[C@@H]1c1cccc(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 8/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ KDR P35968 2/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL4751967 1.00 HTR7 (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4751358 0.99 KIF11 (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4751736 0.99 KIF11 (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4752741 0.99 KIF11 (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4752081 0.99 KIF11 (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4749505 0.99 KIF11 (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4749137 0.97 ACHE (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4749119 0.97 ACHE (0.35) HTR7KIF11KDRBCHEACHE
SCHEMBL4023151 0.97 HTR7 (0.37) HTR7KIF11KDRBCHEACHE
SCHEMBL4025347 0.96 KIF11 (0.37) HTR7KIF11KDRBCHEACHE

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