SCHEMBL14514535

SCHEMBL14514535

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

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.85
▸ CCR5 P51681 12/20 0.81

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
SCHEMBL14514558 0.94 CCR5 (0.90) KCNH2CCR5
SCHEMBL13719436 0.94 KCNH2 (0.86) KCNH2CCR5
SCHEMBL3070606 0.92 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3070604 0.92 KCNH2 (1.00) KCNH2CCR5
SCHEMBL14514556 0.92 KCNH2 (0.88) KCNH2CCR5
SCHEMBL1053063 0.91 KCNH2 (0.91) KCNH2CCR5
SCHEMBL1079565 0.91 KCNH2 (0.91) KCNH2CCR5
SCHEMBL30227462 0.91 KCNH2 (0.91) KCNH2CCR5
SCHEMBL13719270 0.89 CCR5 (1.00) KCNH2CCR5
SCHEMBL13719039 0.89 CCR5 (0.90) KCNH2CCR5

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