SCHEMBL6166777

SCHEMBL6166777

O=C(c1cc(-c2ccccc2F)nc2c(F)cccc12)N1CCC[C@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
HCRTR1 O43613 9/20 0.44
HCRTR2 O43614 9/20 0.44
PDK2 Q15119 1/20 0.43
PDE4B Q07343 1/20 0.42
PLAUR Q03405 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
SPHK2 Q9NRA0 1/20 0.41
RIPK1 Q13546 1/20 0.40
SMYD2 Q9NRG4 1/20 0.40
NTRK1 P04629 2/20 0.40

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
SCHEMBL6167551 1.00 RAB9A (0.49) RAB9AHCRTR1HCRTR2PDK2PDE4B
SCHEMBL6166225 1.00 RAB9A (0.49) RAB9AHCRTR1HCRTR2PDK2PDE4B
SCHEMBL6165986 0.90 TRPV1 (0.51) RAB9AHCRTR1HCRTR2PLAURTRPV1
SCHEMBL6163315 0.89 MEN1 (0.49) RAB9AHCRTR1HCRTR2PDK2TRPV1
SCHEMBL6165671 0.89 MEN1 (0.49) RAB9AHCRTR1HCRTR2PDK2TRPV1
SCHEMBL6164237 0.89 MEN1 (0.49) RAB9AHCRTR1HCRTR2PDK2TRPV1
SCHEMBL6162269 0.87 RAB9A (0.48) RAB9AHCRTR1HCRTR2PLAURTRPV1
SCHEMBL6164570 0.87 RAB9A (0.48) RAB9AHCRTR1HCRTR2PLAURTRPV1
SCHEMBL6162329 0.87 RAB9A (0.48) RAB9AHCRTR1HCRTR2PLAURTRPV1
SCHEMBL6167175 0.87 RAB9A (0.50) RAB9AHCRTR1HCRTR2PLAURTRPV1

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