SCHEMBL2504865

SCHEMBL2504865

CCN(CC)CCCOc1ccc(-c2cn(-c3ccc(Oc4ccc(Cl)cc4)cc3)c(C3C4CCN3CC4)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 13/20 0.64
▸ ATP4A P20648 2/20 0.41
▸ ATP4B P51164 2/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL1284113 0.85 AGER (0.60) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1283226 0.85 AGER (0.64) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1615394 0.84 AGER (0.65) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1283410 0.84 AGER (0.65) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1283339 0.83 AGER (0.63) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1283911 0.83 AGER (0.63) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1283433 0.83 AGER (0.63) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1282986 0.82 AGER (0.60) AGERATP4AATP4BIKBKBHRH3
SCHEMBL1283662 0.82 AGER (0.67) AGERATP4AATP4BHRH3
SCHEMBL1283607 0.82 AGER (0.59) AGERATP4AATP4BHRH3

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-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 — — EP disclosed
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