SCHEMBL2469865

SCHEMBL2469865

O=C(NCCC1CC1)Oc1ccc(N2CCN(Cc3ccc(F)cc3C(F)(F)F)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.54
ACHE P22303 2/20 0.40
GPR183 P32249 1/20 0.40
CHRM4 P08173 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL2474664 0.93 SCD (0.54) SCDCHRM4
SCHEMBL2466547 0.89 SCD (0.51) SCDCHRM4
SCHEMBL2474582 0.89 SCD (0.52) SCD
SCHEMBL2466615 0.89 SCD (0.49) SCD
SCHEMBL2468437 0.86 SCD (0.55) SCD
SCHEMBL1377497 0.85 SCD (0.73) SCD
SCHEMBL2471365 0.85 SCD (0.75) SCD
SCHEMBL2470212 0.83 SCD (0.75) SCD
SCHEMBL2468387 0.82 SCD (0.50) SCDCHRM4
SCHEMBL15190076 0.81 SCD (0.48) SCDCHRM4

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-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed