SCHEMBL5809031

SCHEMBL5809031

O=C(NCC1CC1)c1ccc(N2CCC(=Cc3ccccc3C(F)(F)F)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 2/20 0.44
CETP P11597 2/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
GABRA5 P31644 1/20 0.42
HPGDS O60760 3/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5809214 0.86 HPGDS (0.52) SCDHPGDS
SCHEMBL5805495 0.83 RORC (0.46) SCDSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL5312052 0.76 SCD (0.59) SCDSMN1; SMN2ALDH1A1HPGDRAB9A
SCHEMBL2295558 0.75 SCD (0.59) SCDGABRA5
SCHEMBL5822569 0.74 SCD (0.58) SCD
SCHEMBL5805302 0.72 SCD (0.49) SCD
SCHEMBL5809628 0.72 SCD (0.53) SCD
SCHEMBL3666246 0.72 SCD (0.77) SCD
SCHEMBL2299489 0.72 SCD (0.57) SCDSMN1; SMN2ALDH1A1HPGD
SCHEMBL1819943 0.71 SCD (0.54) SCDSMN1; SMN2ALDH1A1RAB9ANPC1

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