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SCHEMBL4751597

SCHEMBL4751597

Cc1c(F)cccc1C1C(C(=O)c2cccc(O)c2)CN(CCCCCN)CC1C(=O)C1CN(CCCCCN)CC(C(=O)c2cccc(O)c2)C1c1cccc(F)c1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 7/20 0.33
▸ HTR1A P08908 6/20 0.33
▸ DRD1 P21728 6/20 0.33
▸ DRD4 P21917 6/20 0.33
▸ DRD5 P21918 6/20 0.33
▸ DRD2 P14416 5/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ KDM2B Q8NHM5 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ESR1 P03372 2/20 0.32

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
SCHEMBL4752015 0.99 KIF11 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4752024 0.99 KIF11 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4751355 0.97 KDM2B (0.33) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4751349 0.97 KDM2B (0.33) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4029040 0.97 DRD3 (0.35) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4028191 0.96 KIF11 (0.35) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4748997 0.94 MEN1 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4749199 0.94 MEN1 (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4751290 0.92 ESRRG (0.34) DRD3HTR1ADRD1DRD4DRD5
SCHEMBL4749105 0.91 MET (0.36) DRD3HTR1ADRD1DRD4DRD5

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