SCHEMBL28291886

SCHEMBL28291886

FC(F)(F)c1ccc(CCC2CCCN2CCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
SPHK2 Q9NRA0 2/20 0.47
SPHK1 Q9NYA1 2/20 0.47
HRH3 Q9Y5N1 9/20 0.45
TRPV6 Q9H1D0 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL25685990 0.83 SPHK2 (0.57) SPHK2SPHK1HRH3
SCHEMBL28290323 0.81 SPHK2 (0.50) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL28290374 0.81 OPRK1 (0.56) SPHK2SPHK1HRH3TRPV6SIGMAR1
SCHEMBL7246899 0.80 MITF (0.54) SIGMAR1
SCHEMBL28872406 0.78 SLC18A2 (0.53) SPHK2SPHK1HRH3
SCHEMBL28291778 0.77 HRH3 (0.59) MAOBSPHK2SPHK1HRH3TRPV6
SCHEMBL8267634 0.76 FFAR1 (0.49) MAOBSPHK2SPHK1OPRK1
SCHEMBL28290308 0.75 HRH3 (0.70) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL23996803 0.73 SPHK1 (0.65) SPHK2SPHK1
SCHEMBL7248042 0.73 MITF (0.47) SIGMAR1

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
CN-109641878-A DIPROVOCIM: a new class of effective TLR agonist 斯克里普斯研究学院 2019-04-16 CN disclosed