SCHEMBL4040370

SCHEMBL4040370

NC(=O)NCCC(=O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
ITGB3 P05106 7/20 0.39
ITGA2B P08514 7/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
F2R P25116 4/20 0.37
CHKA P35790 1/20 0.37
GAA P10253 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36

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
SCHEMBL19309525 0.86 ITGB3 (0.41) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL9215328 0.84 ITGB3 (0.42) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL12352492 0.78 TPSAB1 (0.41) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL3469238 0.77 CA2 (0.43) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL1775192 0.77 ATM (0.39) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL423784 0.75 CA2 (0.45) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL21888390 0.75 TPSAB1 (0.49) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL25138081 0.75 TPSAB1 (0.40) TPSAB1TPSD1TPSG1CA2CA12
SCHEMBL4434497 0.74 SIGMAR1 (0.53) TPSAB1TPSD1TPSG1GAA
SCHEMBL1775928 0.74 GNAI3 (0.42) TPSAB1TPSD1TPSG1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
EP-2041103-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Galapagos SAS (FR) 2009-04-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed
WO-2008006625-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SAS (FR) 2008-01-17 WO claimed
US-5756765-A BACTERICIDES AND ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1998-05-26 US claimed
US-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US claimed