SCHEMBL5729435

SCHEMBL5729435

CN(C1CCN(c2cccnc2)CC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.49
CYP3A4 P08684 1/20 0.43
F2 P00734 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY5R Q15761 1/20 0.41
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL5728778 0.90 F10 (0.59) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5730264 0.89 F10 (0.58) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5729028 0.86 F10 (0.55) F10F2PLATKLKB1SMN1; SMN2
SCHEMBL5728845 0.85 F10 (0.58) F10F2PLATKLKB1SMN1; SMN2
SCHEMBL5730091 0.85 F10 (0.48) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5728947 0.85 F10 (0.57) F10F2PLATKLKB1SMN1; SMN2
SCHEMBL5728862 0.85 F10 (0.58) F10F2PLATKLKB1
Hydrochloric Acid SCHEMBL5730867 0.84 F10 (0.58) F10F2PLATKLKB1
SCHEMBL5731111 0.83 F10 (0.52) F10F2PLATKLKB1
SCHEMBL5729322 0.83 F10 (0.46) F10F2PLATKLKB1

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-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed