SCHEMBL7363653

SCHEMBL7363653

[CH2]CCCCCNCC(O)COc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
KMT2A Q03164 1/20 0.70
HTR1A P08908 3/20 0.50
HTR7 P34969 1/20 0.50
ADRB1 P08588 5/20 0.47
ADRB2 P07550 4/20 0.47
ADRB3 P13945 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
SCHEMBL7365119 0.85 KDM4E (0.56) KDM4EALDH1A1KMT2AHTR1AHTR7
SCHEMBL7363467 0.81 ADRB1 (0.62) KDM4EKMT2AHTR1AADRB1ADRB2
SCHEMBL7367538 0.81 MEN1 (0.62) KMT2AADRB1ADRB2ADRB3
SCHEMBL7364771 0.81 MEN1 (0.62) KMT2AADRB1ADRB2ADRB3
SCHEMBL7363941 0.81 POLB (0.55) KDM4EALDH1A1KMT2AADRB1ADRB2
SCHEMBL7368728 0.80 L3MBTL1 (0.53) KDM4EALDH1A1KMT2AADRB1ADRB2
SCHEMBL7367855 0.80 MEN1 (0.63) KMT2AADRB1ADRB2ADRB3
SCHEMBL7367227 0.76 HTR1A (0.61) KDM4EALDH1A1KMT2AHTR1AADRB1
SCHEMBL6690111 0.75 MEN1 (0.65) KMT2AADRB1ADRB2ADRB3
SCHEMBL11798041 0.74 ADRB1 (0.65) KDM4EKMT2AHTR1AADRB1ADRB2

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