SCHEMBL28082009

SCHEMBL28082009

CC(C)(C)C(=O)ON1CCC(C(=O)c2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.43
HRH3 Q9Y5N1 1/20 0.39
CNR2 P34972 1/20 0.39
HSD11B1 P28845 2/20 0.38
ACKR3 P25106 2/20 0.38
LIPE Q05469 1/20 0.38
MGLL Q99685 2/20 0.37
USP30 Q70CQ3 1/20 0.37
SFRP1 Q8N474 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL28134988 0.83 SLC18A3 (0.60) SLC18A3HSD11B1MGLL
SCHEMBL16632062 0.83 STS (0.51)
SCHEMBL27968804 0.82 HSD11B1 (0.56) HSD11B1MGLL
SCHEMBL997113 0.81 CNR2 (0.43) SLC18A3HRH3CNR2HSD11B1USP30
SCHEMBL16632026 0.81 HSD11B1 (0.46) HRH3HSD11B1MGLLDPP4
SCHEMBL16632109 0.79 HSD11B1 (0.47) HRH3CNR2HSD11B1LIPEMGLL
SCHEMBL27758338 0.79 HSD11B1 (0.57) HSD11B1MGLL
SCHEMBL28081872 0.78 PIK3CD (0.46) HRH3HSD11B1LIPEMGLLDPP4
SCHEMBL27968916 0.77 HSD11B1 (0.60) HSD11B1MGLL
SCHEMBL27991279 0.76 MGLL (0.51) SLC18A3HSD11B1MGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105829294-A METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T 詹森药业有限公司 2016-08-03 CN disclosed
CN-105829295-A Phenyl Linked Quinolinyl Modulators Of Ror-Gamma-T 詹森药业有限公司 2016-08-03 CN disclosed