SCHEMBL11838568

SCHEMBL11838568

O=C(NN1CCN(CC(O)c2c[nH]c3ccccc23)CC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ KMT2A Q03164 5/20 0.60
▸ GAA P10253 5/20 0.52
▸ HTT P42858 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ LMNA P02545 2/20 0.49
▸ MGAM O43451 3/20 0.45
▸ SI P14410 3/20 0.45
▸ MGAM2 Q2M2H8 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44

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
SCHEMBL11546109 0.83 ADRA1D (0.65) MAPTKMT2AGAAHTTMEN1
SCHEMBL11836368 0.80 LMNA (0.69) KMT2AHTTMEN1ALDH1A1MAPK1
SCHEMBL11841997 0.78 ADRA2A (0.70) KMT2AMEN1LMNAADRA2AADRA2B
SCHEMBL11846843 0.78 MAPT (0.74) MAPTKMT2AGAAHTTMEN1
SCHEMBL11878846 0.75 MAPT (0.60) MAPTKMT2AGAAHTTMEN1
SCHEMBL11841817 0.71 ADRA2A (0.60) MAPTKMT2AGAAMEN1ALDH1A1
SCHEMBL11860457 0.70 ADRA2A (0.59) KMT2AMEN1LMNAADRA2AADRA2B
SCHEMBL11840670 0.70 SIRT1 (0.61) MAPTKMT2ALMNAADRA2AADRA2B
SCHEMBL11841837 0.70 ADRA2A (0.56) MAPTKMT2AHTTMEN1ALDH1A1
SCHEMBL28593688 0.70 MEN1 (0.72) MAPTKMT2AGAAMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3997539-A HYPOTENSIVE, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-12-14 — — US claimed
US-3997539-A HYPOTENSIVE, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-12-14 — — US disclosed
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