SCHEMBL3667666

SCHEMBL3667666

NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.82
USP2 O75604 1/20 0.82
ALDH1A1 P00352 1/20 0.82
CYP1A2 P05177 1/20 0.82
CHRM2 P08172 1/20 0.82
CHRM4 P08173 1/20 0.82
CHRM5 P08912 1/20 0.82
CYP2D6 P10635 1/20 0.82
CHRM1 P11229 1/20 0.82
CHRM3 P20309 1/20 0.82
GMNN O75496 1/20 0.80
APEX1 P27695 1/20 0.80

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
SCHEMBL16496191 0.93 LMNA (0.78) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL3665228 0.93 USP2 (0.76) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9430960 0.93 USP2 (0.76) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL9431542 0.91 LMNA (0.83) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL3667503 0.90 LMNA (0.73) LMNAUSP2ALDH1A1CYP1A2CHRM2
Pirenzepine SCHEMBL41705 0.90 LMNA (1.00) LMNAUSP2ALDH1A1CYP1A2CHRM2
Pirenzepine SCHEMBL30553045 0.90 LMNA (1.00) LMNAUSP2ALDH1A1CYP1A2CHRM2
Pirenzepine SCHEMBL9254860 0.90 LMNA (1.00) LMNAUSP2ALDH1A1CYP1A2CHRM2
Pirenzepine SCHEMBL29793172 0.90 LMNA (1.00) LMNAUSP2ALDH1A1CYP1A2CHRM2
SCHEMBL10971915 0.89 LMNA (0.80) LMNAUSP2ALDH1A1CYP1A2CHRM2

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-2238248-A2 A METHOD FOR GENERATING A RECOMBINANT CLONAL CELL LINE AND NOVEL REAGENTS FOR USE IN THE METHOD Cellaura Technologies LTD (GB) 2010-10-13 EP disclosed
WO-2009040555-A2 A METHOD FOR GENERATING A RECOMBINANT CLONAL CELL LINE AND NOVEL REAGENTS FOR USE IN THE METHOD CELLAURA TECHNOLOGIES LTD (GB) 2009-04-02 WO disclosed
US-5324832-A Muscarinic antagonists THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-06-28 US disclosed
WO-1993000906-A1 MUSCARINIC ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-01-21 WO disclosed