(Cycloheptylamino)Carbonylphosphonic Acid

(Cycloheptylamino)Carbonylphosphonic Acid

SCHEMBL5886552

O=C(NC1CCCCCC1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 1.00
CA12 O43570 8/20 1.00
CA1 P00915 8/20 1.00
CA2 P00918 8/20 1.00
CA9 Q16790 8/20 1.00
MMP8 P22894 5/20 1.00
MMP1 P03956 4/20 1.00
MMP3 P08254 3/20 1.00
EPHX1 P07099 5/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
EPHX2 P34913 1/20 0.56
MMP9 P14780 3/20 0.55
MMP13 P45452 1/20 0.55

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
(Cyclohexylamino)Carbonylphosphonic Acid SCHEMBL13986865 1.00 MMP2 (1.00) MMP2CA12CA1CA2CA9
(Cyclohexylamino)Carbonylphosphonic Acid SCHEMBL4850185 0.98 MMP2 (0.96) MMP2CA12CA1CA2CA9
(Cyclopentylamino)Carbonylphosphonic Acid SCHEMBL4846602 0.98 MMP2 (1.00) MMP2CA12CA1CA2CA9
(Cyclohexylamino)Carbonylphosphonic Acid SCHEMBL4850182 0.77 MMP2 (0.62) MMP2CA12CA1CA2CA9
SCHEMBL10376229 0.76 MMP2 (0.61) MMP2CA12CA1CA2CA9
SCHEMBL4854264 0.76 MMP2 (0.61) MMP2CA12CA1CA2CA9
SCHEMBL10698154 0.76 MMP2 (0.61) MMP2CA12CA1CA2CA9
SCHEMBL5151614 0.72 MMP2 (0.57) MMP2CA12CA1CA2CA9
SCHEMBL5058559 0.72 MMP2 (0.57) MMP2CA12CA1CA2CA9
SCHEMBL24308699 0.72 EPHX1 (1.00) EPHX1NPC1RAB9ASMN1; SMN2MAPT

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
US-7101864-B1 Compositions comprising oxophosphonate-based metalloproteinase inhibitors YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-09-05 US claimed
EP-1223945-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2002-07-24 EP claimed
WO-2001026661-A1 COMPOSITIONS COMPRISING OXOPHOSPHONATE-BASED METALLOPROTEINASE INHIBITORS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2001-04-19 WO claimed