SCHEMBL6163593

SCHEMBL6163593

O=C(c1cc(-c2ccccc2)nc2c(Cl)cccc12)N1CCCC1CO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
PLAUR Q03405 4/20 0.48
MOK Q9UQ07 2/20 0.47
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PPARA Q07869 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43

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
SCHEMBL6164221 1.00 TRPV1 (0.50) TRPV1PLAURMOKMAPTUSP2
SCHEMBL6165906 1.00 TRPV1 (0.50) TRPV1PLAURMOKMAPTUSP2
SCHEMBL6165986 0.88 TRPV1 (0.51) TRPV1PLAURHCRTR1HCRTR2
SCHEMBL6167452 0.88 PLAUR (0.48) TRPV1PLAURPOLBHCRTR1HCRTR2
SCHEMBL6166185 0.88 PLAUR (0.48) TRPV1PLAURPOLBHCRTR1HCRTR2
SCHEMBL6165842 0.88 PLAUR (0.48) TRPV1PLAURPOLBHCRTR1HCRTR2
SCHEMBL6163729 0.86 PDE10A (0.60) TRPV1PLAURPOLBHCRTR1HCRTR2
SCHEMBL6166464 0.86 PDE10A (0.60) TRPV1PLAURPOLBHCRTR1HCRTR2
SCHEMBL6163843 0.86 PDE10A (0.60) TRPV1PLAURPOLBHCRTR1HCRTR2
SCHEMBL6161963 0.86 TRPV1 (0.57) TRPV1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP claimed