SCHEMBL28435964

SCHEMBL28435964

Cc1cc2nc(CNCc3ccc(CN(Cc4ccccn4)C4CCCc5cccnc54)cc3)[nH]c2cc1C

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.73
CYP2D6 P10635 4/20 0.56
CYP3A4 P08684 3/20 0.56
CHRM2 P08172 1/20 0.48
DRD2 P14416 1/20 0.48
OPRM1 P35372 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL29859912 1.00 CXCR4 (0.73) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL2507349 0.94 CXCR4 (0.83) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL29823655 0.94 CXCR4 (0.83) CXCR4CYP2D6CYP3A4CHRM2DRD2
Bromide SCHEMBL1897567 0.93 CXCR4 (0.81) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL28446985 0.91 CXCR4 (0.88) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL28445662 0.86 CXCR4 (0.69) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL4065830 0.85 CXCR4 (0.85) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL29823518 0.84 CXCR4 (1.00) CXCR4CYP2D6CYP3A4CHRM2DRD2
SCHEMBL1878773 0.84 CXCR4 (1.00) CXCR4CYP2D6CYP3A4CHRM2DRD2
Bromide SCHEMBL5141033 0.84 CXCR4 (0.84) CXCR4CYP2D6CYP3A4CHRM2DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111902411-A Compositions and methods for expanding hematopoietic stem and progenitor cells and treating inherited metabolic disorders 美真达治疗公司 2020-11-06 CN disclosed
CN-111683669-A Compositions and methods for hematopoietic stem and progenitor cell transplantation therapy 美真达治疗公司 2020-09-18 CN disclosed
CN-111542597-A Compositions and methods for expanding hematopoietic stem and progenitor cells 美真达治疗公司 2020-08-14 CN disclosed