SCHEMBL31045855

SCHEMBL31045855

C[C@H]1CNCCN1c1ncc([N+](=O)[O-])cn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.43
▸ ROCK2 O75116 3/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GSK3B P49841 4/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37

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
SCHEMBL2681976 0.83 MAPT (0.55) MAPTCYP1A2
SCHEMBL2681979 0.83 MAPT (0.55) MAPTCYP1A2
SCHEMBL26151977 0.81 MAPT (0.48) MAPTCYP1A2
SCHEMBL12740946 0.81 ROCK2 (0.42) ROCK2ROCK1GSK3BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1448748 0.80 ROCK2 (0.42) ROCK2ROCK1GSK3BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1448751 0.80 ROCK2 (0.42) ROCK2ROCK1GSK3BCYP1A2CYP3A4
SCHEMBL31398804 0.79 ROCK2 (0.43) ROCK2ROCK1GSK3BCYP1A2CYP3A4
SCHEMBL18152220 0.78 ROCK2 (0.42) KCNH2ROCK2ROCK1GSK3BCYP1A2
SCHEMBL18159371 0.78 ROCK2 (0.42) KCNH2ROCK2ROCK1GSK3BCYP1A2
SCHEMBL5473688 0.78 HTR2C (0.47) ROCK2ROCK1GSK3BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676547-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2026-01-14 — — EP disclosed
EP-4665331-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2025-12-24 — — EP disclosed
WO-2024186584-A2 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-09-12 — — WO disclosed
WO-2024173219-A1 ALPHA-SYNUCLEIN BINDERS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-22 — — WO disclosed
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