SCHEMBL5805495

SCHEMBL5805495

O=C(O)c1ccc(N2CCC(=Cc3ccccc3C(F)(F)F)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.46
SCD O00767 3/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
SMO Q99835 1/20 0.42
KMT2A Q03164 2/20 0.41
RBP4 P02753 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TTR P02766 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SFRP1 Q8N474 1/20 0.40
CCR3 P51677 1/20 0.40
OGA O60502 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
SCHEMBL5810600 0.87 OGA (0.40) RORCSCDKMT2AMEN1MAPT
SCHEMBL5809214 0.85 HPGDS (0.52) SCDKMT2A
SCHEMBL1742861 0.83 HPGD (0.45) RORCHPGDNPSR1NPC1RAB9A
SCHEMBL5809031 0.83 SCD (0.48) RORCSCDHPGDNPSR1NPC1
SCHEMBL5808105 0.81 SCD (0.47) SCD
SCHEMBL5808456 0.78 RORC (0.46) RORCSCDHPGDNPSR1RBP4
SCHEMBL3677226 0.76 SCD (0.71) SCDKMT2ALMNAHTTMEN1
SCHEMBL4252698 0.75 TNF (0.48) HPGDNPSR1KMT2ARBP4MEN1
SCHEMBL5809607 0.74 SCD (0.64) SCD
SCHEMBL5809211 0.74 SCD (0.48) 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