SCHEMBL5810600

SCHEMBL5810600

O=C(O)c1ccc(N2CCC(=Cc3cc(F)ccc3C(F)(F)F)CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
SCD O00767 3/20 0.40
SFRP1 Q8N474 2/20 0.39
RORC P51449 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
STAT3 P40763 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SRD5A2 P31213 1/20 0.37
MPL P40238 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5805495 0.87 RORC (0.46) OGASCDSFRP1RORCSMN1; SMN2
SCHEMBL5806175 0.82 SCD (0.44) SCD
SCHEMBL5805986 0.79 KDM4E (0.44) SMN1; SMN2MAPTKDM4EMEN1KMT2A
SCHEMBL5808458 0.79 RBP4 (0.39) SCDRORC
SCHEMBL2760778 0.78 SCD (0.55) SCDSMN1; SMN2KDM4EMEN1CYP1A2
SCHEMBL5810428 0.74 SCD (0.58) SCD
SCHEMBL5809214 0.73 HPGDS (0.52) SCDKMT2A
SCHEMBL5809576 0.73 SCD (0.52) SCD
SCHEMBL5805823 0.72 PARP1 (0.45) SCD
SCHEMBL5820146 0.72 DCTPP1 (0.59) 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
WO-2006125181-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS STEAROYL-COA DESATURASE MODULATORS XENON PHARMACEUTICALS INC. (CA) 2006-11-23 WO disclosed