SCHEMBL8128688

SCHEMBL8128688

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.49
▸ NPY4R P50391 9/20 0.44
▸ NPY1R P25929 6/20 0.44
▸ NPY2R P49146 4/20 0.44
▸ NPY5R Q15761 4/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ PDF Q9HBH1 1/20 0.42
▸ FURIN P09958 3/20 0.42
▸ KISS1R Q969F8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3688868 0.93 SSTR3 (0.52) SSTR3NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL31023226 0.93 SSTR3 (0.51) SSTR3NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL6383627 0.93 SSTR3 (0.51) SSTR3NPY4RNPY1RNPY2RNPY5R
SCHEMBL1269633 0.90 SSTR3 (0.51) SSTR3NPY4RNPY1RNPY2RNPY5R
SCHEMBL11361946 0.90 SSTR3 (0.51) SSTR3NPY4RNPY1RNPY2RNPY5R
SCHEMBL7106396 0.89 SSTR3 (0.52) SSTR3NPY4RNPY1RNPY2RNPY5R
SCHEMBL521932 0.89 SSTR3 (0.52) SSTR3NPY4RNPY1RNPY2RNPY5R
SCHEMBL27319796 0.89 SSTR3 (0.52) SSTR3NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL566787 0.89 SSTR3 (0.51) SSTR3NPY4RNPY1RNPY2RNPY5R
SCHEMBL30541924 0.88 KISS1R (0.52) SSTR3NPY4RNPY1RNPY2RNPY5R

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-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 — — EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 — — EP disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 — — WO disclosed
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