SCHEMBL8000347

SCHEMBL8000347

CC(C)[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.67
▸ SSTR3 P32745 1/20 0.56
▸ MMP2 P08253 1/20 0.45
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ PLG P00747 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ HPGD P15428 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
SCHEMBL547491 0.94 PDF (0.61) PDFSSTR3MMP2MEN1KMT2A
SCHEMBL27750016 0.94 PDF (0.61) PDFSSTR3MMP2MEN1KMT2A
SCHEMBL386663 0.94 PDF (0.61) PDFSSTR3MMP2MEN1KMT2A
Hydrochloric Acid SCHEMBL3481900 0.93 PDF (0.60) PDFSSTR3MMP2MEN1KMT2A
Hydrochloric Acid SCHEMBL8853773 0.93 PDF (0.60) PDFSSTR3MMP2MEN1KMT2A
Hydrochloric Acid SCHEMBL3482618 0.93 PDF (0.60) PDFSSTR3MMP2MEN1KMT2A
SCHEMBL30037909 0.92 PDF (0.61) PDFSSTR3MMP2MEN1KMT2A
SCHEMBL8365389 0.91 SSTR3 (0.71) PDFSSTR3SMN1; SMN2
SCHEMBL10439499 0.91 SSTR3 (0.71) PDFSSTR3SMN1; SMN2
SCHEMBL5318843 0.87 PDF (0.65) PDFSSTR3MMP2MEN1KMT2A

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-0792156-A4 METHODS FOR THE PREVENTION OR TREATMENT OF VASCULAR HEMORRHAGING AND ALZHEIMER'S DISEASE UNIV RUTGERS (US) 2000-03-01 — — EP disclosed
EP-0792156-A1 METHODS FOR THE PREVENTION OR TREATMENT OF VASCULAR HEMORRHAGING AND ALZHEIMER'S DISEASE RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1997-09-03 — — EP disclosed
WO-1996015799-A1 METHODS FOR THE PREVENTION OR TREATMENT OF VASCULAR HEMORRHAGING AND ALZHEIMER'S DISEASE RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1996-05-30 — — WO disclosed
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