SCHEMBL7515481

SCHEMBL7515481

COc1ccc(-c2cncc(-c3c(C(C)C4CCCNC4)[nH]c4cc(Cl)ccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 1/20 0.35
ALPL P05186 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAP4K4 O95819 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CHEK1 O14757 2/20 0.33
PDPK1 O15530 1/20 0.33
RPS6KB1 P23443 1/20 0.33
TGFBR1 P36897 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 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
SCHEMBL7509290 0.93 MAP2 (0.39) CHRNB2CHRNA4ALPLJAK2JAK1
SCHEMBL7507746 0.93 HTR2A (0.35) CHRNB2CHRNA4MAP4K4CHEK1CHRNB1
SCHEMBL7508487 0.91 MAPK13 (0.38) CHRNB2CHRNA4MAPK13MAPK12MAPK11
SCHEMBL7504471 0.90 CHRNB2 (0.35) CHRNB2CHRNA4CHEK1TGFBR1CHRNB1
SCHEMBL7502638 0.90 HTR2A (0.39) CHRNB2CHRNA4CHEK1
SCHEMBL7508483 0.89 CDK7 (0.37) CHEK1PDPK1RPS6KB1TGFBR1CYP11B1
SCHEMBL7507840 0.87 KCNH2 (0.35) CHRNB2CHRNA4MAPK13MAPK12MAPK11
SCHEMBL7508903 0.85 CDK7 (0.41) CHRNB2CHRNA4CHEK1
SCHEMBL7503822 0.85 CYP2A6 (0.36) CHRNB2CHRNA4CHEK1PDPK1RPS6KB1
SCHEMBL7502243 0.84 MAPK13 (0.38) CHRNB2CHRNA4MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 EP disclosed