SCHEMBL20145277

SCHEMBL20145277

CCCNc1cc(C)nc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.46
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNM2 P50570 6/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP1A2 P05177 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL16840726 0.77 NOS3 (0.50) ALDH1A1HTT
SCHEMBL16608745 0.75 DNM2 (0.61) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL28841507 0.74 TLR8 (0.51) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL15585264 0.74 TLR8 (0.51) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL8585646 0.74 TLR8 (0.81) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL11981453 0.73 HSP90AA1 (0.46) ALDH1A1LMNATSHRHTTCYP1A2
SCHEMBL12963699 0.73 NOS3 (0.55) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL25867803 0.72 TLR7 (0.43) TLR8TLR7HTTCYP1A2
SCHEMBL9911066 0.71 TLR8 (0.49) TLR8ALDH1A1LMNATP53TSHR
SCHEMBL25164663 0.69 NOS3 (0.42) TLR7HTT

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-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed