SCHEMBL22167227

SCHEMBL22167227

CCCC1CCC(C2CCC(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ MAPK1 P28482 4/20 0.37
▸ PYGL P06737 1/20 0.36
▸ S1PR1 P21453 2/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ MC4R P32245 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
SCHEMBL17532282 1.00 CCR1 (0.39) CCR1ALDH1A1LMNAMAPTMAPK11
SCHEMBL17532286 0.93 ALDH1A1 (0.39) CCR1ALDH1A1LMNAMAPTMAPK11
SCHEMBL19485744 0.91 ENPP2 (0.39) MAPK11MAPK14MAPK1PYGLS1PR1
SCHEMBL17834495 0.91 ENPP2 (0.39) MAPK11MAPK14MAPK1PYGLS1PR1
SCHEMBL17532293 0.89 ALDH1A1 (0.36) CCR1ALDH1A1LMNAMAPTMAPK11
SCHEMBL17468520 0.89 MAPK14 (0.35) CCR1MAPK11MAPK14PYGLS1PR1
SCHEMBL22167389 0.89 MAPK14 (0.35) CCR1MAPK11MAPK14PYGLS1PR1
SCHEMBL22167240 0.88 ALDH1A1 (0.35) CCR1ALDH1A1LMNAMAPTMAPK1
SCHEMBL17532296 0.88 ALDH1A1 (0.35) CCR1ALDH1A1LMNAMAPTMAPK1
SCHEMBL17834816 0.88 CCR1 (0.41) CCR1ALDH1A1LMNAMAPTMAPK14

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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
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