SCHEMBL7368728

SCHEMBL7368728

[CH2]CCCCCNCC(O)COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 4/20 0.46
ADRB2 P07550 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
MAPT P10636 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 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
SCHEMBL7363653 0.80 KDM4E (0.70) KDM4EKMT2AADRB2ALDH1A1ADRB1
SCHEMBL7365119 0.80 KDM4E (0.56) KDM4EKMT2AADRB2ALDH1A1KCNH2
SCHEMBL7363941 0.78 POLB (0.55) KDM4EKMT2AADRB2ALDH1A1POLB
SCHEMBL11573034 0.78 ADRB1 (0.53) L3MBTL1KDM4EKMT2AADRB2ALDH1A1
SCHEMBL7363467 0.77 ADRB1 (0.62) KDM4EKMT2AADRB2ADRB1ADRB3
SCHEMBL11064011 0.77 SMN1; SMN2 (0.63) L3MBTL1KDM4EKMT2AADRB2ALDH1A1
SCHEMBL7367538 0.76 MEN1 (0.62) KMT2AADRB2ADRB1ADRB3MAPT
SCHEMBL7364771 0.76 MEN1 (0.62) KMT2AADRB2ADRB1ADRB3MAPT
SCHEMBL8778559 0.76 NPC1 (0.72) L3MBTL1KDM4EKMT2AALDH1A1NPC1
SCHEMBL11719183 0.76 ADRB2 (0.63) L3MBTL1ADRB2ALDH1A1KCNH2ADRB1

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