SCHEMBL6773852

SCHEMBL6773852

O=C(O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 7/20 0.65
NPY1R P25929 3/20 0.65
DRD2 P14416 1/20 0.65
ADRA2C P18825 1/20 0.65
TP53 P04637 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP19A1 P11511 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL6773850 1.00 NPY5R (0.65) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL2865412 0.90 NPY5R (0.72) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL14020738 0.84 NPY5R (0.65) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL14020732 0.84 NPY5R (0.65) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL5849554 0.83 MEN1 (0.57) NPY5RMEN1KMT2AALDH1A1CYP2C9
SCHEMBL5848417 0.83 MEN1 (0.57) NPY5RMEN1KMT2AALDH1A1CYP2C9
SCHEMBL18230239 0.83 NPY5R (0.64) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL8888802 0.78 NPY5R (0.64) NPY5RNPY1RTSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL30887942 0.78 TP53 (1.00) NPY5RNPY1RDRD2ADRA2CTP53
SCHEMBL3851236 0.78 GBA1 (0.79) NPY5RMEN1KMT2AALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed