SCHEMBL2034147

SCHEMBL2034147

O=C(O)C1CCCN1c1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NOTUM Q6P988 2/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 1/20 0.41
SERPINE1 P05121 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
KEAP1 Q14145 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OGFRL1 Q5TC84 1/20 0.38
HSD11B1 P28845 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL16759937 0.88 NOTUM (0.52) SMN1; SMN2NOTUMKMT2AMEN1THRB
SCHEMBL2939478 0.87 SMN1; SMN2 (0.45) SMN1; SMN2NOTUMKMT2AMEN1THRB
SCHEMBL26606697 0.77 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1THRBALOX12
SCHEMBL26606689 0.77 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1THRBALOX12
SCHEMBL5033141 0.77 NOTUM (0.39) NOTUMKMT2AMEN1HPGDALDH1A1
SCHEMBL5133088 0.77 NOTUM (0.39) NOTUMKMT2AMEN1HPGDALDH1A1
SCHEMBL2035385 0.76 NOTUM (0.55) SMN1; SMN2NOTUMKMT2AMEN1ALDH1A1
SCHEMBL3836397 0.76 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT
SCHEMBL31240267 0.76 NOTUM (0.55) SMN1; SMN2NOTUMKMT2AMEN1ALDH1A1
SCHEMBL28081734 0.76 ITGB3 (0.53) SMN1; SMN2KMT2AMEN1ALDH1A1MAPT

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-2513053-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) Euroscreen S.A. (BE) 2012-10-24 EP disclosed
WO-2011073376-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2011-06-23 WO disclosed