SCHEMBL6984709

SCHEMBL6984709

N=C(N)c1ccc(CCC(=O)N2CCCc3cccc(N(CC(=O)O)S(=O)(=O)c4ccc5ncccc5c4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.44
F10 P00742 5/20 0.38
TRPM8 Q7Z2W7 3/20 0.35
PRSS1 P07477 2/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 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
SCHEMBL6979635 0.86 ITGB3 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6978680 0.83 KEAP1 (0.47) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6982168 0.81 F10 (0.42) F2F10PRSS1
SCHEMBL7407619 0.80 MAPT (0.34)
SCHEMBL6976368 0.79 ITGB3 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6981750 0.78 AVPR2 (0.38) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6982234 0.77 TP53 (0.41) F2F10PRSS1
SCHEMBL6982999 0.77 ALDH1A1 (0.41) F2PRSS1ITGB3ITGA2B
SCHEMBL6976662 0.77 F2 (0.60) F2
SCHEMBL7084264 0.75 F2 (0.40) F2F10PRSS1ITGB3ITGA2B

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed