SCHEMBL7380300

SCHEMBL7380300

CC(C)(C)OC(=O)OC(=O)[C@]1(Sc2ccccc2)CCCN1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.31
OPRM1 P35372 1/20 0.31
USP30 Q70CQ3 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL14656642 0.79 OPRM1 (0.36) OPRM1GPR119
SCHEMBL14343273 0.79 OPRM1 (0.36) OPRM1GPR119
SCHEMBL7366551 0.78 OPRM1 (0.32) OPRM1
SCHEMBL642483 0.76 AKR1C1 (0.37)
SCHEMBL7364415 0.76 AKR1C1 (0.37)
SCHEMBL4302396 0.75 HPGD (0.30)
Bromide SCHEMBL7340605 0.75 AKR1C1 (0.36)
Hydrochloric Acid SCHEMBL1357987 0.75 AKR1C1 (0.36)
SCHEMBL14343367 0.75 P4HB (0.32) ELANEOPRM1USP30GPR119
SCHEMBL7379886 0.74 HRH3 (0.46)

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-0053902-B1 PHOSPHINYLALKANOYL SUBSTITUTED PROLINES E.R. Squibb & Sons, Inc. (US) 1985-04-03 EP disclosed
US-4384123-A Phosphinylalkanoyl substituted prolines E. R. SQUIBB & SONS, INC. (US) 1983-05-17 US disclosed
US-4337201-A Phosphinylalkanoyl substituted prolines E. R. SQUIBB & SONS, INC. (US) 1982-06-29 US disclosed
EP-0053902-A1 Phosphinylalkanoyl substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-16 EP disclosed