SCHEMBL22167480

SCHEMBL22167480

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(CC(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ ENPP2 Q13822 1/20 0.35
▸ MAPK14 Q16539 9/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ PYGL P06737 1/20 0.33
▸ DDR1 Q08345 2/20 0.32
▸ DDR2 Q16832 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL17532291 1.00 S1PR1 (0.36) S1PR1S1PR4S1PR3S1PR5ENPP2
SCHEMBL17468520 0.95 MAPK14 (0.35) S1PR1S1PR4S1PR3S1PR5ENPP2
SCHEMBL22167389 0.95 MAPK14 (0.35) S1PR1S1PR4S1PR3S1PR5ENPP2
SCHEMBL17532290 0.95 PYGL (0.33) S1PR1S1PR5MAPK14MAPK11PYGL
SCHEMBL22167228 0.94 S1PR4 (0.35) S1PR1S1PR4S1PR3S1PR5MAPK14
SCHEMBL17532289 0.94 S1PR4 (0.35) S1PR1S1PR4S1PR3S1PR5MAPK14
SCHEMBL17532298 0.94 PYGL (0.33) MAPK14MAPK11PYGLDDR1DDR2
SCHEMBL22167262 0.94 S1PR1 (0.36) S1PR1S1PR4S1PR3S1PR5ENPP2
SCHEMBL17532354 0.94 S1PR1 (0.36) S1PR1S1PR4S1PR3S1PR5ENPP2
SCHEMBL17492911 0.94 S1PR4 (0.36) S1PR1S1PR4S1PR3S1PR5MAPK14

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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