SCHEMBL22167410

SCHEMBL22167410

CCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(F)(F)F)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ F2 P00734 4/20 0.33
▸ PYGL P06737 1/20 0.31
▸ KIFC1 Q9BW19 2/20 0.30
▸ PIK3CD O00329 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
SCHEMBL17532349 1.00 ITGB1 (0.33) ITGB1ITGA4ITGB7F2PYGL
SCHEMBL21878967 0.95 F2 (0.33) F2PYGL
SCHEMBL20026745 0.95 F2 (0.33) F2PYGL
SCHEMBL21878969 0.95 F2 (0.33) F2PYGL
SCHEMBL17492915 0.95 F2 (0.33) F2PYGL
SCHEMBL17492914 0.95 F2 (0.33) F2PYGL
SCHEMBL17539195 0.91 F2 (0.32) F2PYGL
SCHEMBL17532348 0.91 F2 (0.32) ITGB1ITGA4ITGB7F2PYGL
SCHEMBL17532353 0.91 F2 (0.32) F2PYGL
SCHEMBL17492937 0.91 F2 (0.34) F2

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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