SCHEMBL10918941

SCHEMBL10918941

NCCN(I)CC(O)COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ CYP2D6 P10635 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ ADRB3 P13945 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ AGER Q15109 1/20 0.42

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
SCHEMBL10838063 0.82 HIF1A (0.51) POLBLMNACYP2D6HIF1AADRB2
SCHEMBL5878404 0.75 L3MBTL1 (0.61) LMNACYP2D6HIF1AL3MBTL1ADRB2
SCHEMBL4019175 0.75 L3MBTL1 (0.61) LMNACYP2D6HIF1AL3MBTL1ADRB2
SCHEMBL2021875 0.75 L3MBTL1 (0.61) LMNACYP2D6HIF1AL3MBTL1ADRB2
SCHEMBL6264190 0.74 HIF1A (0.57) POLBLMNACYP2D6HIF1AL3MBTL1
SCHEMBL267463 0.74 LMNA (0.68) POLBLMNACYP2D6HIF1AL3MBTL1
SCHEMBL258823 0.74 HIF1A (0.75) POLBLMNACYP2D6HIF1AADRB2
Hydrochloric Acid SCHEMBL6539516 0.73 L3MBTL1 (0.64) POLBLMNACYP2D6HIF1AL3MBTL1
Hydrochloric Acid SCHEMBL4925995 0.73 L3MBTL1 (0.64) POLBLMNACYP2D6HIF1AL3MBTL1
SCHEMBL31414644 0.73 ALDH1A1 (0.67) POLBLMNACYP2D6HIF1AL3MBTL1

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
EP-0194750-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 — — EP disclosed
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