SCHEMBL9739305

SCHEMBL9739305

O=C(O)[C@@H]1CCCN1C(=O)C1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.69
CTRB1 P17538 1/20 0.56
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 1/20 0.54
KLK7 P49862 1/20 0.54
KLK5 Q9Y337 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
FKBP1A P62942 2/20 0.54
GFER P55789 1/20 0.53

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
SCHEMBL7394900 1.00 PREP (0.69) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL8160599 1.00 PREP (0.69) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL8160600 1.00 PREP (0.69) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL17459445 0.97 PREP (0.71) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL20678314 0.97 PREP (0.71) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL17459413 0.97 PREP (0.71) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL18093534 0.97 PREP (0.71) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL17459415 0.97 PREP (0.71) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL9554796 0.97 PREP (0.71) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1
SCHEMBL630208 0.94 PREP (0.62) PREPCTRB1ALDH1A1SMN1; SMN2NPSR1

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-5106982-A Cognition activators E. R. SQUIBB & SONS, INC. (US) 1992-04-21 US disclosed