SCHEMBL6858189

SCHEMBL6858189

CC(C)(O)c1ccc2c(c1)C(=CCCN1CCC(O)(c3ccc(Cl)cc3)C(C)(C)C1)C1=C(NCC=C1)C(=O)O2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 17/20 0.62
▸ MDM2 Q00987 3/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ TP53 P04637 2/20 0.31

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
SCHEMBL27311886 0.86 CCR1 (0.69) CCR1MDM2NR1I2TP53
SCHEMBL18895928 0.79 CCR1 (0.57) CCR1MDM2NR1I2TP53
SCHEMBL438488 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53
SCHEMBL403450 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53
SCHEMBL12121747 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53
SCHEMBL653493 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53
SCHEMBL438265 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53
SCHEMBL438487 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53
SCHEMBL13620905 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53
SCHEMBL653494 0.76 CCR1 (1.00) CCR1MDM2NR1I2TP53

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-1448566-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-25 — — EP disclosed
WO-2003045942-A2 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-06-05 — — WO disclosed
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