SCHEMBL6676701

SCHEMBL6676701

N=CCNC(CCCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.49
GSR P00390 1/20 0.44
RNPEP Q9H4A4 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
GGT1 P19440 1/20 0.40
CPB2 Q96IY4 10/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TLR2 O60603 1/20 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
SCHEMBL45766 1.00 FOLH1 (0.49) FOLH1GSRRNPEPSLC6A5MMP2
Hydrochloric Acid SCHEMBL15923088 0.98 FOLH1 (0.47) FOLH1GSRRNPEPSLC6A5MMP2
Acetic Acid SCHEMBL268741 0.95 FOLH1 (0.45) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL232126 0.95 FOLH1 (0.42) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL3433410 0.95 FOLH1 (0.42) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL27799398 0.95 FOLH1 (0.42) FOLH1GSRRNPEPSLC6A5MMP2
Hydrochloric Acid SCHEMBL15923983 0.93 FOLH1 (0.41) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL861645 0.83 FOLH1 (0.49) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL861646 0.83 FOLH1 (0.49) FOLH1GSRRNPEPSLC6A5MMP2
SCHEMBL29666181 0.83 FOLH1 (0.49) FOLH1GSRRNPEPSLC6A5MMP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
CN-106255689-B Heteroaryl SYK Inhibitors 勃林格殷格翰国际有限公司 2019-09-17 CN disclosed
CN-110183440-A Heteroaryl SYK inhibitor 勃林格殷格翰国际有限公司 2019-08-30 CN disclosed
CN-107690281-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2018-02-13 CN disclosed
EP-1278547-B1 FORMULATIONS AND METHODS OF USING NITRIC OXIDE MIMETICS AGAINST A MALIGNANT CELL PHENOTYPE CELLEGY PHARMA INC (US) 2004-11-03 EP disclosed