SCHEMBL742645

SCHEMBL742645

NN(C(=O)C1CCCN(C(=O)O)C1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.40
CCR5 P51681 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL6423500 0.80 L3MBTL1 (0.38) RAB9AMAPTL3MBTL1
SCHEMBL6424261 0.77 HTT (0.40) RAB9AMEN1KMT2A
SCHEMBL740751 0.76 HPGD (0.44) RAB9AHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14737095 0.74 GRM3 (0.44) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5554898 0.74 RAB9A (0.72) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL5554906 0.74 RAB9A (0.72) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL193002 0.72 ALDH1A1 (0.49) RAB9AMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4678821 0.72 GLA (0.52) RAB9AMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL2595616 0.72 PDK2 (0.36) RAB9AMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL4099888 0.72 RAB9A (0.57) RAB9AMAPTHPGDSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed