SCHEMBL7345709

SCHEMBL7345709

NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CYP2C19 P33261 1/20 0.52
HTR2C P28335 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ACE P12821 6/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
PREP P48147 2/20 0.43
FKBP1A P62942 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3843206 0.90 ACE (0.53) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL4799717 0.90 ACE (0.53) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL4848858 0.90 ACE (0.53) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL7339038 0.90 ACE (0.53) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL4842577 0.90 ACE (0.53) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL16276265 0.89 HTR2C (0.48) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL28765277 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL29786253 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL29786255 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A
SCHEMBL29786254 0.89 SMN1; SMN2 (0.52) SMN1; SMN2CYP2C19HTR2CNPC1RAB9A

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-0252928-A1 PHOSPHINYLALKANOYL IMINO ACIDS SCHERING CORPORATION (US) 1988-01-20 EP disclosed
EP-0224067-A1 Phosphinylalkanoyl amino acids SCHERING CORPORATION (US) 1987-06-03 EP disclosed
WO-1987002669-A1 PHOSPHINYLALKANOYL IMINO ACIDS SCHERING CORPORATION (US) 1987-05-07 WO disclosed
US-4634689-A HYPOTENSIVE AGENTS SCHERING CORPORATION (US) 1987-01-06 US disclosed