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SCHEMBL4416997

SCHEMBL4416997

CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 1.00
▸ KCNH2 Q12809 6/20 0.85
▸ CCR5 P51681 1/20 0.69

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
SCHEMBL4425999 0.93 CCR2 (0.87) CCR2KCNH2CCR5
SCHEMBL4426000 0.93 CCR2 (0.87) CCR2KCNH2CCR5
SCHEMBL4420783 0.93 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL4420301 0.93 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL4417576 0.93 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL4413635 0.93 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL4417573 0.93 CCR2 (0.86) CCR2KCNH2CCR5
SCHEMBL4422887 0.92 CCR2 (0.85) CCR2KCNH2CCR5
SCHEMBL4422885 0.92 CCR2 (0.85) CCR2KCNH2CCR5
SCHEMBL4416670 0.92 CCR2 (0.85) 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