Sugi Predict

Sugi Predict / Compounds / SCHEMBL13544264

SCHEMBL13544264

SCHEMBL13544264

Cc1nc2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(Cl)cc(NS(=O)(=O)C(F)(F)F)c2Cl)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 17/20 0.73
▸ CCR5 P51681 3/20 0.62

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
SCHEMBL3524096 1.00 KCNH2 (0.73) KCNH2CCR5
SCHEMBL3528336 0.94 KCNH2 (0.74) KCNH2CCR5
SCHEMBL13544339 0.94 KCNH2 (0.74) KCNH2CCR5
SCHEMBL3529759 0.93 KCNH2 (0.83) KCNH2CCR5
SCHEMBL13544277 0.93 KCNH2 (0.83) KCNH2CCR5
SCHEMBL13544286 0.91 KCNH2 (0.87) KCNH2CCR5
SCHEMBL3526243 0.91 KCNH2 (0.87) KCNH2CCR5
SCHEMBL3532852 0.89 KCNH2 (0.87) KCNH2CCR5
SCHEMBL3528443 0.89 KCNH2 (0.79) KCNH2CCR5
SCHEMBL3524329 0.88 KCNH2 (0.78) 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