SCHEMBL5057009

SCHEMBL5057009

CCN(CC)CCCOc1cc(OCCCN(CC)CC)c2nc(-c3ccc(Oc4ccc(F)c(CF)c4)cc3C(C)(F)F)[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 0.36
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL1283915 0.91 HRH4 (0.37) HRH4HRH3
SCHEMBL3095780 0.88 HRH4 (0.35) HRH4HRH3
SCHEMBL13100482 0.87 HRH4 (0.37) HRH4
SCHEMBL1614240 0.81 HRH4 (0.47) HRH4HRH3
SCHEMBL1283983 0.81 ACHE (0.43)
SCHEMBL1283068 0.79 ADORA2A (0.40)
SCHEMBL1282949 0.79 HRH4 (0.42) HRH4HRH3
SCHEMBL1283305 0.78 KDM4E (0.40) HRH4
SCHEMBL1615181 0.76 ACHE (0.46) HRH4
SCHEMBL3100196 0.76 HRH4 (0.40) HRH4

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-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed