SCHEMBL2474664

SCHEMBL2474664

O=C(NCCC1CC1)Oc1ccc(N2CCN(Cc3cc(F)ccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.54
CHRM4 P08173 2/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL2466615 0.95 SCD (0.49) SCD
SCHEMBL2469865 0.93 SCD (0.54) SCDCHRM4
SCHEMBL2468437 0.91 SCD (0.55) SCDCHRM2CHRM1
SCHEMBL2474582 0.89 SCD (0.52) SCDCHRM2CHRM1
SCHEMBL2466547 0.87 SCD (0.51) SCDCHRM4
SCHEMBL1379993 0.85 SCD (0.73) SCD
SCHEMBL2470212 0.85 SCD (0.75) SCD
SCHEMBL2471365 0.83 SCD (0.75) SCD
SCHEMBL2471435 0.82 SCD (0.70) SCD
SCHEMBL2467367 0.82 SCD (0.70) SCD

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