Sugi Predict

Sugi Predict / Compounds / SCHEMBL15310683

SCHEMBL15310683

SCHEMBL15310683

CC(C)N(C)[C@@H]1CC[C@H](N2CCC(NC(=O)c3cc(OC(F)(F)F)ccc3N)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.78
▸ CCR5 P51681 2/20 0.58
▸ KCNH2 Q12809 7/20 0.56

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
SCHEMBL15310682 1.00 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL15310678 1.00 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL15310481 0.94 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL15310479 0.94 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL15310482 0.94 CCR2 (0.78) CCR2CCR5KCNH2
SCHEMBL4417736 0.90 CCR2 (0.68) CCR2CCR5KCNH2
SCHEMBL4417731 0.90 CCR2 (0.68) CCR2CCR5KCNH2
SCHEMBL4417174 0.90 CCR2 (0.72) CCR2CCR5KCNH2
SCHEMBL4417738 0.90 CCR2 (0.68) CCR2CCR5KCNH2
SCHEMBL4420028 0.89 CCR2 (0.65) CCR2CCR5KCNH2

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-1656345-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2013-10-16 — — EP claimed