SCHEMBL8995532

SCHEMBL8995532

N=C(N)c1ccc(CCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.56
ITGA2B P08514 7/20 0.56
GRIA1 P42261 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
MMP2 P08253 2/20 0.49
MMP8 P22894 2/20 0.49
MMP12 P39900 2/20 0.49
MMP13 P45452 2/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
MMP3 P08254 1/20 0.49
MMP10 P09238 1/20 0.49
MMP9 P14780 1/20 0.49
MMP14 P50281 1/20 0.49
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
CCKBR P32239 1/20 0.47

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
SCHEMBL7416798 1.00 ITGB3 (0.56) ITGB3ITGA2BGRIA1CHRNB2CHRNB4
SCHEMBL7425557 0.93 ITGB3 (0.62) ITGB3ITGA2BGRIA1CHRNB2CHRNB4
SCHEMBL7425539 0.93 ITGB3 (0.62) ITGB3ITGA2BGRIA1CHRNB2CHRNB4
SCHEMBL7414657 0.87 FOLH1 (0.53) ITGB3ITGA2BF10
SCHEMBL7415256 0.87 FOLH1 (0.53) ITGB3ITGA2BF10
SCHEMBL7417654 0.87 FOLH1 (0.53) ITGB3ITGA2BF10
SCHEMBL7431042 0.85 ITGB3 (0.70) ITGB3ITGA2BF10PRSS1
SCHEMBL7417445 0.83 F2 (0.54) F10
SCHEMBL7417435 0.83 F2 (0.54) F10
SCHEMBL7417133 0.83 MMP2 (0.50) ITGB3ITGA2BGRIA1CHRNB2CHRNB4

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
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed