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Sugi Predict / Compounds / SCHEMBL7005997

SCHEMBL7005997

SCHEMBL7005997

O=C(O)C1CCCN1C(=O)[C@@H](c1ccccc1)c1nc([N+](=O)[O-])c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 11/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ACE P12821 2/20 0.40
▸ LTA4H P09960 1/20 0.39

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
SCHEMBL5861592 1.00 AGTR2 (0.43) AGTR2SMN1; SMN2ALDH1A1ACELTA4H
SCHEMBL5860558 0.83 AGTR2 (0.46) AGTR2SMN1; SMN2ALDH1A1ACELTA4H
SCHEMBL5860590 0.82 KDM4E (0.39) ALDH1A1
SCHEMBL5861779 0.80 GAA (0.47) ALDH1A1
SCHEMBL5860179 0.77 MEN1 (0.39) ALDH1A1
SCHEMBL22333647 0.74 AGTR2 (0.60) AGTR2LTA4H
SCHEMBL22333690 0.74 AGTR2 (0.60) AGTR2LTA4H
SCHEMBL7004971 0.71 ELANE (0.38) ALDH1A1
SCHEMBL5511534 0.70 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL6437308 0.69 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1ACELTA4H

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-1112071-A4 GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2003-03-19 — — EP disclosed
EP-1112071-A1 GROWTH HORMONE SECRETAGOGUES Eli Lilly & Company (US) 2001-07-04 — — EP disclosed
WO-2000010565-A1 GROWTH HORMONE SECRETAGOGUES ELI LILLY AND COMPANY (US) 2000-03-02 — — WO disclosed