SCHEMBL18264872

SCHEMBL18264872

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)N(C)c2cc(CO)cc(CO)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.33
▸ FAP Q12884 3/20 0.32
▸ GLP1R P43220 2/20 0.31

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
SCHEMBL18264888 0.95 NR3C1 (0.32) NR3C1FAPGLP1R
SCHEMBL18929515 0.91 OPRK1 (0.31) —
SCHEMBL18929365 0.90 NR3C1 (0.30) NR3C1FAP
SCHEMBL18264873 0.90 NR3C1 (0.35) NR3C1FAPGLP1R
SCHEMBL23846023 0.88 NR3C1 (0.38) NR3C1GLP1R
SCHEMBL23961616 0.88 NR3C1 (0.38) NR3C1GLP1R
SCHEMBL24898123 0.88 NR3C1 (0.38) NR3C1GLP1R
SCHEMBL24781307 0.86 NR3C1 (0.35) NR3C1FAP
SCHEMBL22910463 0.86 NR3C1 (0.35) NR3C1FAPGLP1R
SCHEMBL18929353 0.86 NR3C1 (0.35) NR3C1FAP

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-9504694-B2 Isoquinolidinobenzodiazepines CELLERANT THERAPEUTICS, INC. (US) 2016-11-29 — — US disclosed
Send feedback