Sugi Predict

Sugi Predict / Compounds / SCHEMBL5553802

SCHEMBL5553802

SCHEMBL5553802

CC(C)CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccc(F)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.70
▸ KCNH2 Q12809 5/20 0.70
▸ CCR5 P51681 4/20 0.63

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
SCHEMBL4413656 0.95 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL4417195 0.95 CCR2 (0.78) CCR2KCNH2CCR5
SCHEMBL4417175 0.92 CCR2 (0.68) CCR2KCNH2CCR5
SCHEMBL5767261 0.90 CCR2 (0.77) CCR2KCNH2CCR5
SCHEMBL5558363 0.89 CCR2 (0.66) CCR2KCNH2CCR5
SCHEMBL4412634 0.88 CCR2 (0.90) CCR2KCNH2CCR5
SCHEMBL4412633 0.88 CCR2 (0.90) CCR2KCNH2CCR5
SCHEMBL4412632 0.88 CCR2 (0.90) CCR2KCNH2CCR5
SCHEMBL4423035 0.86 CCR2 (0.73) CCR2KCNH2CCR5
SCHEMBL4423038 0.86 CCR2 (0.73) CCR2KCNH2CCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 — — EP claimed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 — — EP claimed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO claimed