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Sugi Predict / Compounds / SCHEMBL13544320

SCHEMBL13544320

SCHEMBL13544320

Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(CNS(C)(=O)=O)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 16/20 0.73
▸ CCR5 P51681 5/20 0.72

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
SCHEMBL3526343 1.00 KCNH2 (0.73) KCNH2CCR5
SCHEMBL3525521 0.93 KCNH2 (0.69) KCNH2CCR5
SCHEMBL13544292 0.93 KCNH2 (0.69) KCNH2CCR5
SCHEMBL13545022 0.91 KCNH2 (0.83) KCNH2CCR5
SCHEMBL3528203 0.91 KCNH2 (0.83) KCNH2CCR5
SCHEMBL3525131 0.88 KCNH2 (0.85) KCNH2CCR5
SCHEMBL3523451 0.88 KCNH2 (0.83) KCNH2CCR5
SCHEMBL13544345 0.87 KCNH2 (0.80) KCNH2CCR5
SCHEMBL3529457 0.87 KCNH2 (0.80) KCNH2CCR5
SCHEMBL13544327 0.86 KCNH2 (0.80) 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