SCHEMBL8441486

SCHEMBL8441486

CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.54
▸ NMUR2 Q9GZQ4 5/20 0.53
▸ NMUR1 Q9HB89 4/20 0.53
▸ NPY1R P25929 2/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ NPY5R Q15761 1/20 0.51
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ TFPI P10646 3/20 0.50
▸ KISS1R Q969F8 2/20 0.50
▸ F2 P00734 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
SCHEMBL7124762 0.96 NMUR2 (0.52) KDM1ANMUR2NMUR1NPY1RNPY2R
SCHEMBL8441481 0.93 NMUR2 (0.52) KDM1ANMUR2NMUR1NPY1RNPY2R
SCHEMBL8521204 0.90 SLC6A2 (0.56) NMUR2NMUR1NPY1RNPY2RNPY4R
SCHEMBL7331095 0.88 TFPI (0.60) KDM1ANMUR2NMUR1NPY1RNPY2R
SCHEMBL10376833 0.87 NMUR2 (0.51) KDM1ANMUR2NMUR1KISS1RF2
SCHEMBL25845490 0.86 SLC6A2 (0.55) NPY1RNPY2RNPY4RNPY5RNTSR2
SCHEMBL8521196 0.85 CALCRL (0.57) NMUR2NMUR1NPY1RNPY2RNPY4R
SCHEMBL31497329 0.84 CALCRL (0.62) KDM1ANMUR2TFPIKISS1R
SCHEMBL29394357 0.84 NPY1R (0.59) KDM1ANPY1RNPY2RNPY4RNPY5R
SCHEMBL29453068 0.84 SLC6A2 (0.67) NMUR2NMUR1

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-5962642-A TREATING PROTEIN/PEPTIDE HAVING AMINO TERMINAL ACETYLATED AMINO ACID WITH ACID TO ACETYLATE HYDROXYL GROUP, TREATING WITH ISOTHIOCYANATE COMPOUND IN PRESENCE OF ACID TO FORM THIOCARBAMYL PROTEIN/PEPTIDE, ANALYSIS BY EDMAN DEGRADATION SEIKO INSTRUMENTS INC. (JP) 1999-10-05 — — US claimed
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