Sugi Predict

Sugi Predict / Compounds / SCHEMBL4417366

SCHEMBL4417366

SCHEMBL4417366

CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(OC(F)(F)F)ccc3N(C(=O)O)C(C)(C)C)C2=O)[C@H](CS(=O)(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.60
▸ KCNH2 Q12809 6/20 0.60
▸ CCR5 P51681 1/20 0.52

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
SCHEMBL4420036 0.89 CCR2 (0.65) CCR2KCNH2CCR5
SCHEMBL4420028 0.89 CCR2 (0.65) CCR2KCNH2CCR5
SCHEMBL4420038 0.89 CCR2 (0.65) CCR2KCNH2CCR5
SCHEMBL4421710 0.88 CCR2 (0.62) CCR2KCNH2CCR5
SCHEMBL4421718 0.88 CCR2 (0.62) CCR2KCNH2CCR5
Trifluoroacetic Acid SCHEMBL4417716 0.88 CCR2 (0.62) CCR2KCNH2CCR5
SCHEMBL4417760 0.85 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL4417010 0.85 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL4417758 0.85 CCR2 (0.81) CCR2KCNH2CCR5
SCHEMBL4417011 0.85 CCR2 (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 — — EP claimed