SCHEMBL28624652

SCHEMBL28624652

O=C(ON1CC[C@@H](Oc2ccccc2)C1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.45
CHRM2 P08172 4/20 0.45
FFAR4 Q5NUL3 4/20 0.43
EPHX2 P34913 3/20 0.41
LIPG Q9Y5X9 2/20 0.41
LIPC P11150 1/20 0.41
USP30 Q70CQ3 1/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
RIPK1 Q13546 1/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL27911300 0.86 CHRM3 (0.49) CHRM3CHRM2FFAR4EPHX2USP30
SCHEMBL27874081 0.86 CHRM3 (0.49) CHRM3CHRM2FFAR4EPHX2USP30
SCHEMBL27721841 0.86 CHRM3 (0.49) CHRM3CHRM2FFAR4EPHX2USP30
SCHEMBL438002 0.79 CTSV (0.38) CHRM3CHRM2USP30ACACB
SCHEMBL2823896 0.78 EPHX2 (0.43) EPHX2LIPGLIPCMMP2MMP13
SCHEMBL27037272 0.76 LIPG (0.39) EPHX2LIPGLIPCACACB
SCHEMBL6399437 0.76 ACE (0.36) CHRM3CHRM2
SCHEMBL21590610 0.76 MGLL (0.47) LIPG
SCHEMBL28749387 0.76 FFAR4 (0.42) CHRM3CHRM2FFAR4EPHX2USP30
Lithium SCHEMBL29705539 0.76 FFAR4 (0.42) CHRM3CHRM2FFAR4EPHX2USP30

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-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 CN disclosed