SCHEMBL22384269

SCHEMBL22384269

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)c5ccc(C6(C)CC6)cc5)C(=O)N5CC(CC(=O)O)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 13/20 0.38
▸ CCR1 P32246 4/20 0.37
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP10 P09238 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL17834664 0.92 CCR1 (0.38) CCR1ACE2
SCHEMBL20427367 0.86 CCR1 (0.41) CCR1
SCHEMBL17834627 0.85 CCR1 (0.42) CCR1
SCHEMBL17834462 0.83 CCR1 (0.41) CCR1
SCHEMBL17834859 0.82 CCR1 (0.40) DGAT1CCR1
SCHEMBL17834490 0.82 CCR1 (0.40) CCR1
SCHEMBL17834864 0.82 CCR1 (0.41) CCR1
SCHEMBL17834437 0.81 CCR1 (0.41) CCR1
SCHEMBL17834671 0.81 CCR1 (0.39) DGAT1CCR1
SCHEMBL17532293 0.80 ALDH1A1 (0.36) CCR1ACE2

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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