SCHEMBL13372529

SCHEMBL13372529

CCCCC1CCC(c2nc(-c3ccc(OCCCN(CC)CC)cc3)cn2-c2ccc(Oc3ccc(C)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AGER Q15109 4/20 0.56
▸ HRH3 Q9Y5N1 8/20 0.47
▸ ATP4A P20648 4/20 0.42
▸ ATP4B P51164 4/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD3 P35462 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
SCHEMBL1283662 0.93 AGER (0.67) AGERHRH3ATP4AATP4BDRD2
SCHEMBL14639926 0.91 AGER (0.54) AGERHRH3ATP4AATP4BDRD2
SCHEMBL1615394 0.85 AGER (0.65) AGERHRH3ATP4AATP4B
SCHEMBL1283911 0.82 AGER (0.63) AGERHRH3ATP4AATP4B
SCHEMBL1283433 0.82 AGER (0.63) AGERHRH3ATP4AATP4B
SCHEMBL1283339 0.82 AGER (0.63) AGERHRH3ATP4AATP4B
SCHEMBL1283410 0.80 AGER (0.65) AGERHRH3ATP4AATP4B
SCHEMBL1283367 0.80 AGER (0.84) AGERHRH3ATP4AATP4B
SCHEMBL1283226 0.79 AGER (0.64) AGERHRH3ATP4AATP4B
SCHEMBL1283596 0.78 AGER (0.62) AGERHRH3ATP4AATP4BDRD2

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
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 — — US disclosed
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