SCHEMBL7269041

SCHEMBL7269041

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 6/20 1.00
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CTRB1 P17538 1/20 0.54
KMT2A Q03164 2/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL7268391 1.00 PREP (1.00) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL6696041 0.91 PREP (0.83) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL4977449 0.91 PREP (0.83) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL7269927 0.89 PREP (0.81) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL7268319 0.89 PREP (0.81) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL9872924 0.86 PREP (0.76) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL9872921 0.86 PREP (0.76) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL9872918 0.86 PREP (0.76) PREPNPSR1ALDH1A1CTRB1KMT2A
SCHEMBL9873047 0.86 PREP (0.75) PREPNPSR1CTRB1KMT2ATSHR
SCHEMBL9873052 0.86 PREP (0.75) PREPNPSR1CTRB1KMT2ATSHR

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
US-5158970-A Prolylendopeplidase inhibitors; antiamnesia KABUSHIKI KAISHA YAKULT HONSHA (JP) 1992-10-27 US disclosed
EP-0384341-A2 New proline derivatives KABUSHIKI KAISHA YAKULT HONSHA (JP) 1990-08-29 EP disclosed