SCHEMBL7277277

SCHEMBL7277277

CCCCOC(=O)N[C@](O)(CCC(C)C)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
PPIA P62937 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NFKB1 P19838 1/20 0.37
STAT1 P42224 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.36

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
SCHEMBL7275375 0.82 AAK1 (0.41) PPIACYP1A2TDP1TSHR
SCHEMBL7269535 0.82 AAK1 (0.41) PPIACYP1A2TDP1TSHR
SCHEMBL8213601 0.73 GAA (0.41) GAASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL10871871 0.70 NPC1 (0.39) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL8192515 0.69 TSHR (0.43) GAASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL24702068 0.69 TSHR (0.45) GAASMN1; SMN2L3MBTL1HPGDPOLB
SCHEMBL1921112 0.68 SMN1; SMN2 (0.59) GAASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8203980 0.68 TSHR (0.44) GAASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL30890579 0.68 HPGD (0.65) GAASMN1; SMN2RAB9AHPGDPOLB
SCHEMBL5593041 0.67 RAB9A (0.39) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD

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
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed