SCHEMBL7083792

SCHEMBL7083792

CN(C(=O)c1cccc2c1N(C(=O)CCc1ccc(C(=N)N)cc1)CCC2)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
F2 P00734 5/20 0.40
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
AVPR2 P30518 3/20 0.37
AVPR1A P37288 3/20 0.37
OXTR P30559 2/20 0.37
F10 P00742 2/20 0.37
F7 P08709 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER4 P35408 2/20 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
SCHEMBL6981429 0.86 F2 (0.40) F2ITGB3ITGA2BPLGPRSS1
SCHEMBL6986115 0.85 ITGB3 (0.40) F2ITGB3ITGA2BPLGPRSS1
SCHEMBL7080783 0.83 POLB (0.48) PLAUF2ITGB3ITGA2BNPC1
Hydrochloric Acid SCHEMBL6980241 0.82 POLB (0.48) PLAUF2ITGB3ITGA2BNPC1
SCHEMBL6982999 0.80 ALDH1A1 (0.41) F2ITGB3ITGA2BPLGPRSS1
SCHEMBL6982704 0.79 ITGB3 (0.44) PLAUITGB3ITGA2BAVPR2AVPR1A
SCHEMBL6985025 0.78 F7 (0.42) F2ITGB3ITGA2BPLGPRSS1
SCHEMBL7409214 0.78 PTGER4 (0.38) AVPR2NPC1MAPTMAPK1RAB9A
SCHEMBL6984888 0.76 MAPT (0.44) PLAUF2ITGB3ITGA2BPLG
SCHEMBL6980417 0.76 PTGER4 (0.39) NPC1MAPTMAPK1RAB9ASMN1; SMN2

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP claimed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed