SCHEMBL19242638

SCHEMBL19242638

O=C(CN1CCCCC1)C1(c2ccccc2)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ MAPK1 P28482 2/20 0.59
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.54
▸ HSD11B1 P28845 3/20 0.54
▸ HDAC4 P56524 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ PRCP P42785 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL14347920 0.98 MEN1 (0.58) KMT2AMEN1MAPK1LMNAL3MBTL1
SCHEMBL16507031 0.97 KMT2A (0.56) KMT2AMEN1MAPK1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL16507430 0.95 MAPK1 (0.58) KMT2AMEN1MAPK1LMNAL3MBTL1
SCHEMBL19242698 0.87 SMN1; SMN2 (0.62) KMT2AMEN1MAPK1LMNAGAA
SCHEMBL8353497 0.83 USP2 (0.45) KMT2AMEN1MAPK1LMNAL3MBTL1
SCHEMBL16523027 0.82 HSD11B1 (0.62) LMNAHSD11B1HDAC4SMN1; SMN2ALDH1A1
SCHEMBL19242639 0.81 MEN1 (0.53) KMT2AMEN1MAPK1LMNAL3MBTL1
SCHEMBL16523531 0.80 MEN1 (0.45) KMT2AMEN1HSD11B1ALDH1A1TSHR
SCHEMBL8351183 0.80 HPGD (0.46) KMT2AMEN1LMNAL3MBTL1HSD11B1
SCHEMBL8351554 0.80 USP2 (0.45) KMT2AMEN1LMNAL3MBTL1HSD11B1

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
WO-2017138838-A1 ARYLCYCLOALKYLAMINE DERIVATIVES EXHIBITING A NEUROPROTECTIVE, ANALGESIC AND ANTIDEPRESSANT EFFECT АКЦИОНЕРНОЕ ОБЩЕСТВО "ВЕРТЕКС" 2017-08-17 — — WO disclosed
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