SCHEMBL28210486

SCHEMBL28210486

O=[C]C1CCCCN1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
KMT2A Q03164 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC18A3 Q16572 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL3767119 0.95 KMT2A (0.44) USP30KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL3767117 0.95 KMT2A (0.44) USP30KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL1660396 0.82 USP30 (0.50) USP30MBTD1L3MBTL3L3MBTL1MAPT
SCHEMBL28414703 0.76 AR (0.55) USP30KMT2AMAPTNPSR1
SCHEMBL2926923 0.76 MBTD1 (0.43) USP30KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL29026563 0.72 MAPT (0.49) KMT2AMAPTALDH1A1
SCHEMBL3021428 0.72 MBTD1 (0.43) USP30KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL8646658 0.72 MBTD1 (0.43) USP30KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL10606613 0.72 MBTD1 (0.47) USP30KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL30228495 0.72 MBTD1 (0.43) USP30KMT2AMBTD1L3MBTL3L3MBTL1

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-107941969-A The detection method of 2 formamide of (2S, 5R) Atenolol phenylpiperidines 中山奕安泰医药科技有限公司 2018-04-20 CN disclosed