SCHEMBL8245029

SCHEMBL8245029

Fc1ccc(NCCCN2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.48
▸ SCN5A Q14524 2/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL3 Q96JM7 2/20 0.46
▸ CACNA1B Q00975 2/20 0.46
▸ CACNA1H O95180 1/20 0.46
▸ HTR3A P46098 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ CCR3 P51677 1/20 0.42
▸ ACP1 P24666 1/20 0.42
▸ KDM1A O60341 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
SCHEMBL8243176 0.88 USP2 (0.44) HRH3MEN1ALDH1A1KMT2ACCR3
SCHEMBL6985304 0.80 SIGMAR1 (0.46) SCN5AHTR3A
Hydrochloric Acid SCHEMBL5842852 0.79 SIGMAR1 (0.45) HTR3A
SCHEMBL9046587 0.78 CCR3 (0.49) CCR3
SCHEMBL18502033 0.78 L3MBTL1 (0.68) HRH3L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL18501758 0.78 L3MBTL1 (0.54) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11793425 0.76 SIGMAR1 (0.53) KDM4E
SCHEMBL11790502 0.75 HTR1A (0.69) HRH3L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL18502043 0.75 L3MBTL1 (0.64) HRH3L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL8245727 0.75 USP2 (0.56) SCN5AMEN1ALDH1A1KMT2ACACNA1B

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-2007025776-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 — — WO disclosed
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