SCHEMBL7370828

SCHEMBL7370828

[CH2]CCCCCN(C)CC(O)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP2D6 P10635 2/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ TDP1 Q9NUW8 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
SCHEMBL15296872 0.87 POLB (0.53) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL7364876 0.84 ABCB1 (0.46) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL12212607 0.81 KDM4E (0.59) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL10838063 0.80 HIF1A (0.51) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL10836817 0.78 LMNA (0.49) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL258823 0.76 HIF1A (0.75) LMNAPOLBHIF1ACYP2D6ADRB2
SCHEMBL11273462 0.76 LMNA (0.59) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL7336029 0.76 POLB (0.47) LMNAMAPK1POLBHIF1AMEN1
SCHEMBL11842298 0.75 HTR2A (0.47) LMNAKDM4EMAPK1POLBHIF1A
SCHEMBL11882594 0.74 MAPK1 (0.63) LMNAKDM4EMAPK1POLBMEN1

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-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 — — WO disclosed
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