SCHEMBL2466547

SCHEMBL2466547

O=C(NCCC1CC1)Oc1ccc(N2CCN(Cc3ccc(F)cc3Cl)CC2)nn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.51
CHRM4 P08173 2/20 0.41
GRM2 Q14416 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OXTR P30559 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKAA2 P54646 1/20 0.39
GALR3 O60755 1/20 0.39
NR2F2 P24468 1/20 0.39
CXCR3 P49682 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
SCHEMBL2468387 0.91 SCD (0.50) SCDCHRM4GRM2
SCHEMBL2469865 0.89 SCD (0.54) SCDCHRM4
SCHEMBL2474664 0.87 SCD (0.54) SCDCHRM4
SCHEMBL2470340 0.86 SCD (0.52) SCDCHRM4
SCHEMBL1380294 0.85 SCD (0.70) SCDPRKAA2
SCHEMBL2468437 0.83 SCD (0.55) SCD
SCHEMBL2471109 0.83 SCD (0.74) SCD
SCHEMBL2466615 0.83 SCD (0.49) SCDGRM2PRKAA2
SCHEMBL15190076 0.82 SCD (0.48) SCDCHRM4ALDH1A1SMN1; SMN2MEN1
SCHEMBL2474582 0.81 SCD (0.52) SCDALDH1A1

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 2 patents. 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
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed