SCHEMBL20026803

SCHEMBL20026803

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(C4=CCC(C5CCCCC5)CC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.32
▸ PYGL P06737 1/20 0.32
▸ ITGA4 P13612 2/20 0.32
▸ ITGB7 P26010 2/20 0.32
▸ MAPK11 Q15759 2/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ ITGB1 P05556 1/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ SRC P12931 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ MC4R P32245 4/20 0.30
▸ MC5R P33032 4/20 0.30
▸ MC3R P41968 4/20 0.30
▸ MC1R Q01726 4/20 0.30
▸ NPC1 O15118 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
SCHEMBL17532336 1.00 PRCP (0.32) PRCPPYGLITGA4ITGB7MAPK11
SCHEMBL17492920 0.95 PYGL (0.32) PRCPPYGL
SCHEMBL17459556 0.95 PYGL (0.32) PRCPPYGL
SCHEMBL22167241 0.95 PYGL (0.32) PRCPPYGL
SCHEMBL17532347 0.94 PYGL (0.31) PRCPPYGLMC4RMC5RMC3R
SCHEMBL22167196 0.94 PYGL (0.31) PYGL
SCHEMBL21878967 0.94 F2 (0.33) PYGL
SCHEMBL21878969 0.94 F2 (0.33) PYGL
SCHEMBL17492915 0.94 F2 (0.33) PYGL
SCHEMBL17492914 0.94 F2 (0.33) PYGL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519407-B1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR RECEPTOS LLC (US) 2021-09-22 — — EP disclosed
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
WO-2018064476-A1 DIMETHYLAMINOETHANOL SALT OF A GLP-1 RECEPTOR MODULATOR CELGENE INTERNATIONAL II SARL (CH) 2018-04-05 — — WO disclosed
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