SCHEMBL22167416

SCHEMBL22167416

CCCCCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)(C)C)s5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.32
▸ ITGB3 P05106 3/20 0.31
▸ ITGA2B P08514 3/20 0.31
▸ PYGL P06737 1/20 0.30
▸ P2RY12 Q9H244 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
SCHEMBL17459547 1.00 F2 (0.32) F2ITGB3ITGA2BPYGLP2RY12
SCHEMBL22167188 0.96 F2 (0.31) F2PYGL
SCHEMBL17492907 0.96 F2 (0.31) F2PYGL
SCHEMBL17459563 0.96 F2 (0.31) F2PYGL
SCHEMBL22167333 0.96 F2 (0.33) F2ITGB3ITGA2BP2RY12
SCHEMBL17539188 0.96 F2 (0.33) F2ITGB3ITGA2BP2RY12
SCHEMBL21878967 0.94 F2 (0.33) F2PYGL
SCHEMBL17492914 0.94 F2 (0.33) F2PYGL
SCHEMBL20026745 0.94 F2 (0.33) F2PYGL
SCHEMBL17492915 0.94 F2 (0.33) F2PYGL

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
Send feedback