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Sugi Predict / Compounds / SCHEMBL6250176

SCHEMBL6250176

SCHEMBL6250176

CC(C)(O)CC[C@H](C[C@@H](OC(=O)O[C@H](C[C@@H](CCC(C)(C)O)C(N)=O)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)[C@H](Cc1cccc(F)c1)NC(=O)c1cnc2ccccc2n1)C(N)=O

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 20/20 0.81
▸ CHRM2 P08172 1/20 0.81
▸ CCR5 P51681 1/20 0.81

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
SCHEMBL6801699 0.95 CCR1 (0.80) CCR1CHRM2CCR5
SCHEMBL6246190 0.95 CCR1 (0.80) CCR1CHRM2CCR5
SCHEMBL6801704 0.95 CCR1 (0.80) CCR1CHRM2CCR5
SCHEMBL6248141 0.94 CCR1 (0.78) CCR1CHRM2CCR5
SCHEMBL6248509 0.94 CCR1 (0.73) CCR1CHRM2CCR5
SCHEMBL6248484 0.94 CCR1 (0.73) CCR1CHRM2CCR5
SCHEMBL6248479 0.94 CCR1 (0.73) CCR1CHRM2CCR5
SCHEMBL6248481 0.94 CCR1 (0.73) CCR1CHRM2CCR5
SCHEMBL6248515 0.94 CCR1 (0.73) CCR1CHRM2CCR5
SCHEMBL6245801 0.94 CCR1 (0.77) 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