SCHEMBL14514558

SCHEMBL14514558

COC(=O)N[C@@H](CCN1C2CCC1CC(n1c(C)nc3c1CCN(C(C)=O)C3)C2)c1cccc(F)c1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 12/20 0.90
▸ KCNH2 Q12809 8/20 0.88

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
SCHEMBL13719270 0.95 CCR5 (1.00) CCR5KCNH2
SCHEMBL14514535 0.94 KCNH2 (0.85) CCR5KCNH2
SCHEMBL13719039 0.94 CCR5 (0.90) CCR5KCNH2
SCHEMBL3070606 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL3070604 0.94 KCNH2 (1.00) CCR5KCNH2
SCHEMBL14514556 0.91 KCNH2 (0.88) CCR5KCNH2
SCHEMBL30227220 0.90 KCNH2 (1.00) CCR5KCNH2
SCHEMBL1080663 0.90 KCNH2 (1.00) CCR5KCNH2
SCHEMBL1198749 0.90 KCNH2 (1.00) CCR5KCNH2
SCHEMBL13719436 0.90 KCNH2 (0.86) CCR5KCNH2

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-7217721-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2007-05-15 — — US disclosed
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