SCHEMBL8733025

SCHEMBL8733025

CN[C@@H](CCCNC(=N)N)C(=O)O.NCCCCCCCCCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAOX Q6QHF9 2/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ TLR2 O60603 1/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ GNAI3 P08754 1/20 0.38
▸ GNAO1 P09471 1/20 0.38
▸ GNAI1 P63096 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ NPY4R P50391 3/20 0.35
▸ NPY1R P25929 2/20 0.35
▸ NPY2R P49146 2/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ CPB2 Q96IY4 3/20 0.35
▸ GSR P00390 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.34

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
SCHEMBL162756 0.92 FOLH1 (0.38) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL17769024 0.92 FOLH1 (0.38) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL93472 0.92 FOLH1 (0.38) FOLH1NPY4RNPY1RNPY2RNPY5R
SCHEMBL93473 0.92 FOLH1 (0.38) FOLH1NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL1578565 0.91 FOLH1 (0.37) FOLH1NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL974818 0.91 FOLH1 (0.37) FOLH1NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL7367067 0.91 FOLH1 (0.37) FOLH1NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL3421641 0.91 GSR (0.51) SIRT6SIRT1FOLH1GNAI3GNAO1
Gamma-Aminobutyric Acid SCHEMBL8958845 0.90 FOLH1 (0.43) FOLH1NPY4RNPY1RNPY2RNPY5R
Acetic Acid SCHEMBL160844 0.89 FOLH1 (0.39) FOLH1NPY4RNPY1RNPY2RNPY5R

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-0797442-A4 TREATMENT OF OPTIC NEURITIS MASSACHUSETTS EYE & EAR INFIRM (US) 1998-04-15 — — EP disclosed
EP-0797442-A1 TREATMENT OF OPTIC NEURITIS MASSACHUSETTS EYE & EAR INFIRMARY (US) 1997-10-01 — — EP disclosed
WO-1996000073-A1 TREATMENT OF OPTIC NEURITIS MASSACHUSETTS EYE AND EAR INFIRMARY (US) 1996-01-04 — — WO disclosed
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