SCHEMBL28615280

SCHEMBL28615280

C1CCC[C](N2CCCCCC2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.44
INMT O95050 1/20 0.44
ALDH1A1 P00352 7/20 0.33
HPGD P15428 5/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
NPC1 O15118 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL1824179 1.00 USP2 (0.44) USP2INMTALDH1A1HPGDMAPT
SCHEMBL206437 1.00 USP2 (0.44) USP2INMTALDH1A1HPGDMAPT
SCHEMBL6600866 1.00 USP2 (0.44) USP2INMTALDH1A1HPGDMAPT
SCHEMBL1828720 1.00 USP2 (0.44) USP2INMTALDH1A1HPGDMAPT
SCHEMBL204533 1.00 USP2 (0.44) USP2INMTALDH1A1HPGDMAPT
SCHEMBL5037562 0.97 INMT (0.40) USP2INMTALDH1A1HPGDMAPT
SCHEMBL1826475 0.97 INMT (0.40) USP2INMTALDH1A1HPGDMAPT
SCHEMBL25355119 0.93 USP2 (0.39) USP2INMTALDH1A1
SCHEMBL17317854 0.93
SCHEMBL15390690 0.93 USP2 (0.39) USP2INMTALDH1A1HPGDMAPT

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-109069498-B Tetrahydroisoquinoline derivatives 细胞动力学股份有限公司 2021-08-17 CN disclosed