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SCHEMBL13544261

SCHEMBL13544261

Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(C)C(=O)O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 1.00
▸ CCR5 P51681 11/20 0.75

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
SCHEMBL3526647 1.00 KCNH2 (1.00) KCNH2CCR5
SCHEMBL13543882 0.93 KCNH2 (1.00) KCNH2CCR5
SCHEMBL3530722 0.93 KCNH2 (1.00) KCNH2CCR5
SCHEMBL13543714 0.93 CCR5 (0.88) KCNH2CCR5
SCHEMBL3529423 0.93 CCR5 (0.88) KCNH2CCR5
SCHEMBL6152815 0.92 KCNH2 (0.86) KCNH2CCR5
SCHEMBL3526013 0.92 KCNH2 (0.89) KCNH2CCR5
SCHEMBL13543828 0.92 KCNH2 (0.84) KCNH2CCR5
SCHEMBL3526005 0.92 KCNH2 (0.84) KCNH2CCR5
SCHEMBL13544336 0.91 KCNH2 (0.88) 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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed