SCHEMBL20026814

SCHEMBL20026814

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(-c3ncc(C4=CCCCC4)cn3)cc2)C(=O)N2CC(C(=O)O)C2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.34
▸ PRCP P42785 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ITGA4 P13612 2/20 0.32
▸ ITGB7 P26010 2/20 0.32
▸ ITGB1 P05556 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ GIPR P48546 1/20 0.32
▸ CSF1R P07333 2/20 0.31
▸ KIT P10721 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL22167468 0.89 PYGL (0.35) PYGLNPC1ITGA4ITGB7ITGB1
SCHEMBL17532336 0.89 PRCP (0.32) PYGLPRCPNPC1ITGA4ITGB7
SCHEMBL20026803 0.89 PRCP (0.32) PYGLPRCPNPC1ITGA4ITGB7
SCHEMBL17468603 0.89 PYGL (0.33) PYGLPRCPNPC1MAPK11MAPK14
SCHEMBL17834564 0.89 PYGL (0.41) PYGLPRCPITGA4ITGB7ITGB1
SCHEMBL22167460 0.88 PRCP (0.35) PRCPNPC1AXLMERTKCSF1R
SCHEMBL22167493 0.88 KIFC1 (0.37) ITGA4ITGB7ITGB1GCGRGIPR
SCHEMBL17532306 0.88 PYGL (0.33) PYGLPRCPNPC1ACKR3
SCHEMBL22167461 0.88 PRCP (0.35) PYGLPRCPITGA4ITGB7ITGB1
SCHEMBL16343488 0.88 PYGL (0.38) PYGLPRCPITGA4ITGB7ITGB1

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 2 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
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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