Sugi Predict

Sugi Predict / Compounds / SCHEMBL3737175

SCHEMBL3737175

SCHEMBL3737175

CC(C)N(C)[C@@H]1CC[C@H](N2CCC(NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 1.00
▸ CCR5 P51681 3/20 0.88
▸ KCNH2 Q12809 6/20 0.87

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
SCHEMBL3737171 1.00 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3737174 1.00 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3738599 0.94 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3738610 0.94 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3738606 0.94 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3744128 0.93 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3744139 0.93 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL3744137 0.93 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL4415140 0.92 CCR2 (0.89) CCR2CCR5KCNH2
SCHEMBL4415133 0.92 CCR2 (0.89) 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 2 patents. 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
US-7829571-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-09 — — US disclosed