SCHEMBL6165986

SCHEMBL6165986

O=C(c1cc(-c2ccccc2)nc2c(F)cccc12)N1CCC[C@@H]1CO

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.51
RAB9A P51151 1/20 0.49
PLAUR Q03405 5/20 0.48
AURKA O14965 1/20 0.47
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
SPHK2 Q9NRA0 1/20 0.43
KCNH2 Q12809 1/20 0.42
RIPK1 Q13546 1/20 0.42

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
SCHEMBL6164570 0.93 RAB9A (0.48) TRPV1RAB9APLAURAURKAHCRTR1
SCHEMBL6162329 0.93 RAB9A (0.48) TRPV1RAB9APLAURAURKAHCRTR1
SCHEMBL6162269 0.93 RAB9A (0.48) TRPV1RAB9APLAURAURKAHCRTR1
SCHEMBL6165844 0.90 RAB9A (0.50) TRPV1RAB9APLAURAURKAHCRTR1
SCHEMBL6163701 0.90 RAB9A (0.50) TRPV1RAB9APLAURAURKAHCRTR1
SCHEMBL6167175 0.90 RAB9A (0.50) TRPV1RAB9APLAURAURKAHCRTR1
SCHEMBL6167551 0.90 RAB9A (0.49) TRPV1RAB9APLAURHCRTR1HCRTR2
SCHEMBL6166225 0.90 RAB9A (0.49) TRPV1RAB9APLAURHCRTR1HCRTR2
SCHEMBL6166777 0.90 RAB9A (0.49) TRPV1RAB9APLAURHCRTR1HCRTR2
SCHEMBL6164221 0.88 TRPV1 (0.50) TRPV1PLAURHCRTR1HCRTR2

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