SCHEMBL28109902

SCHEMBL28109902

CCS(=O)(=O)O[C@@H]1CN(c2cccc(N3CCOCC3)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.43
GRM2 Q14416 8/20 0.43
USP30 Q70CQ3 2/20 0.41
MAOA P21397 2/20 0.41
HTR6 P50406 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
AGXT P21549 1/20 0.39
LMNA P02545 2/20 0.39
PTGS1 P23219 1/20 0.39
CALML3 P27482 1/20 0.39
SDHA P31040 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL27468588 0.84 USP30 (0.46) MAOBGRM2USP30MAOAHTR6
SCHEMBL12006609 0.83 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL12006612 0.83 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL28110426 0.81 PIK3C3 (0.38) MAOBGRM2MAOA
SCHEMBL23699728 0.79 MAOB (0.41) MAOBGRM2MAOALMNAPTGS1
SCHEMBL27483134 0.78 USP30 (0.48) MAOBGRM2USP30MAOAHTR6
SCHEMBL28116312 0.77 MAOB (0.63) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4649482 0.76 MAOB (0.49) MAOBGRM2USP30MAOALMNA
SCHEMBL5432675 0.76 MAOB (0.49) MAOBGRM2USP30MAOALMNA
SCHEMBL28809356 0.76 F10 (0.60) MAOBGRM2USP30MAOAHTR6

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-104364240-B A medicine for preventing or treating mycobacterial diseases 四川贝力克生物技术有限责任公司 2017-02-22 CN disclosed