SCHEMBL3955413

SCHEMBL3955413

CN(c1ccccc1)[C@@](C)(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 4/20 0.42
CYP2C19 P33261 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CYP2C9 P11712 2/20 0.42
RIPK1 Q13546 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
ALDH1A1 P00352 2/20 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
SCHEMBL31212623 0.84 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL498294 0.84 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL28140995 0.84 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL17536667 0.82 KMT2A (0.44) SMN1; SMN2CYP3A4CYP2C19LMNAMEN1
SCHEMBL7151140 0.82 KMT2A (0.44) SMN1; SMN2CYP3A4CYP2C19LMNAMEN1
SCHEMBL5031234 0.80 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL27945054 0.80 HIF1A (0.50) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL1887926 0.80 LMNA (0.44) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL9839841 0.79 HIF1A (0.53) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA
SCHEMBL27305322 0.78 HIF1A (0.49) HIF1ASMN1; SMN2CYP3A4CYP2C19LMNA

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-2021354-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed