SCHEMBL4452546

SCHEMBL4452546

CN[C@@](F)(Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
CYP2D6 P10635 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
CES1 P23141 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP8 P22894 3/20 0.41
RECQL P46063 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
CHRM1 P11229 3/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
SLC6A2 P23975 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL28944299 0.83 TAAR1 (0.46) TAAR1
SCHEMBL21621500 0.78 LMNA (0.48) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1
SCHEMBL332422 0.78 LMNA (0.48) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1
SCHEMBL27300436 0.78 LMNA (0.48) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1
SCHEMBL21243757 0.77 CA12 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19RECQL
SCHEMBL21302016 0.77 LMNA (0.57) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1
SCHEMBL29173166 0.77 LMNA (0.57) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1
SCHEMBL16976217 0.77 LMNA (0.57) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1
SCHEMBL6472726 0.76 SMN1; SMN2 (0.53) LMNACYP2D6SMN1; SMN2HIF1ACES1
Hydrochloric Acid SCHEMBL1311458 0.76 LMNA (0.55) LMNACYP2D6SMN1; SMN2HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021014-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP disclosed
EP-1883652-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2008-02-06 EP disclosed
WO-2007139589-A1 SUSTAINED RELEASE GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed