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Sugi Predict / Compounds / SCHEMBL6250187

SCHEMBL6250187

SCHEMBL6250187

CC(C)(CCC(CC(O)C(Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O)OCOC(=O)CCC(=O)OCOC(C)(C)CCC(CC(O)C(Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 20/20 0.79
▸ CHRM2 P08172 1/20 0.79
▸ CCR5 P51681 1/20 0.79

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
SCHEMBL6802308 0.97 CCR1 (0.75) CCR1CHRM2CCR5
SCHEMBL6246572 0.97 CCR1 (0.75) CCR1CHRM2CCR5
SCHEMBL6246570 0.97 CCR1 (0.75) CCR1CHRM2CCR5
SCHEMBL6251094 0.92 CCR1 (0.82) CCR1CHRM2CCR5
SCHEMBL6244804 0.91 CCR1 (0.76) CCR1CHRM2CCR5
SCHEMBL6244802 0.91 CCR1 (0.76) CCR1CHRM2CCR5
SCHEMBL6810199 0.90 CCR1 (0.78) CCR1CHRM2CCR5
SCHEMBL29709355 0.89 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL30059121 0.89 CCR1 (1.00) CCR1CHRM2CCR5
SCHEMBL995030 0.89 CCR1 (1.00) CCR1CHRM2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558587-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES AS IMMUNOMODULATORY AGENTS Pfizer Products Inc. (US) 2005-08-03 — — EP claimed
WO-2004039787-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO claimed
EP-1558587-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES AS IMMUNOMODULATORY AGENTS Pfizer Products Inc. (US) 2005-08-03 — — EP disclosed
WO-2004039787-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES AS IMMUNOMODULATORY AGENTS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO disclosed