SCHEMBL2474582

SCHEMBL2474582

O=C(NCCC1CC1)Oc1ccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.52
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 1/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL2469865 0.89 SCD (0.54) SCD
SCHEMBL2474664 0.89 SCD (0.54) SCDCHRM2CHRM1
SCHEMBL2468437 0.88 SCD (0.55) SCDCHRM2CHRM1
SCHEMBL2468449 0.88 SCD (0.55) SCD
SCHEMBL1600528 0.85 SCD (0.71) SCD
SCHEMBL2470065 0.84 SCD (0.73) SCD
SCHEMBL2466615 0.84 SCD (0.49) SCD
SCHEMBL2473461 0.83 SCD (0.62) SCD
SCHEMBL15190370 0.83 SCD (0.51) SCDALDH1A1GAANPSR1
SCHEMBL2469867 0.82 SCD (0.50) 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