SCHEMBL22167419

SCHEMBL22167419

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)nc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.31
▸ ENPP2 Q13822 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PRCP P42785 1/20 0.30
▸ MC4R P32245 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30

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
SCHEMBL17532299 1.00 PYGL (0.31) PYGLENPP2PIK3CDPRCPMC4R
SCHEMBL17492910 0.93 S1PR4 (0.36) PYGL
SCHEMBL19181503 0.93 S1PR4 (0.36) PYGL
SCHEMBL17492911 0.93 S1PR4 (0.36) PYGL
SCHEMBL22167489 0.93 S1PR4 (0.36) PYGL
SCHEMBL22167387 0.92 PYGL (0.32) PYGLPRCPMC4R
SCHEMBL17532287 0.92 PYGL (0.32) PYGLPRCPMC4R
SCHEMBL17532290 0.91 PYGL (0.33) PYGLMC4RITGB3ITGA2B
SCHEMBL22167480 0.91 S1PR1 (0.36) PYGLENPP2
SCHEMBL17532291 0.91 S1PR1 (0.36) PYGLENPP2

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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