SCHEMBL6985019

SCHEMBL6985019

N=C(N)c1ccc(CCC(=O)N2CCCc3cc(N(CC(=O)O)C(=O)c4cccc5ccccc45)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.44
F7 P08709 11/20 0.44
F2 P00734 8/20 0.44
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL6984440 0.90 F2 (0.44) F10F2PARP1ALDH1A1GAA
SCHEMBL7084452 0.86 F2 (0.51) F10F2PARP1ALDH1A1GAA
Hydrochloric Acid SCHEMBL7948404 0.85 PARP1 (0.40) F10F7F2PARP1ALDH1A1
SCHEMBL6985025 0.85 F7 (0.42) F10F7F2ITGB3ITGA2B
SCHEMBL6978671 0.84 F2 (0.46) F10F2PARP1ALDH1A1ITGB3
Hydrochloric Acid SCHEMBL6981773 0.82 ITGB3 (0.41) F10F2PARP1ALDH1A1GAA
Hydrochloric Acid SCHEMBL7082413 0.81 F10 (0.40) F10F7F2PARP1ALDH1A1
SCHEMBL6982704 0.81 ITGB3 (0.44) PARP1ALDH1A1GAAMAPTALOX15
Hydrochloric Acid SCHEMBL6983858 0.81 ALDH1A1 (0.42) F10F2ALDH1A1MAPTTSHR
SCHEMBL7948753 0.81 ALDH1A1 (0.44) F10F2PARP1ALDH1A1GAA

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 8 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
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US claimed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP claimed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO claimed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US 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