SCHEMBL28129658

SCHEMBL28129658

c1ccc(N2CCCCC2C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.53
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HRH3 Q9Y5N1 4/20 0.44
SLC18A3 Q16572 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL15272853 0.94 USP30 (0.50) USP30ESR1ESR2HRH3SLC18A3
SCHEMBL7827719 0.81 USP30 (0.47) USP30ESR1ESR2HRH3SLC18A3
SCHEMBL17001737 0.80 HRH3 (0.51) USP30HRH3SLC18A3L3MBTL1KMT2A
SCHEMBL10606613 0.74 MBTD1 (0.47) USP30ESR1ESR2SLC18A3MBTD1
SCHEMBL3021428 0.74 MBTD1 (0.43) USP30ESR1ESR2SLC18A3MBTD1
SCHEMBL28129542 0.74 MBTD1 (0.43) USP30ESR1ESR2SLC18A3MBTD1
SCHEMBL1239115 0.74 MBTD1 (0.43) USP30ESR1ESR2SLC18A3MBTD1
SCHEMBL8646658 0.74 MBTD1 (0.43) USP30ESR1ESR2SLC18A3MBTD1
SCHEMBL30228495 0.74 MBTD1 (0.43) USP30ESR1ESR2SLC18A3MBTD1
SCHEMBL7075696 0.74 MAOA (0.60) SLC18A3MBTD1L3MBTL3L3MBTL1SMN1; SMN2

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-106560470-A Oxapium iodide preparation method 平光制药股份有限公司 2017-04-12 CN claimed