SCHEMBL8583595

SCHEMBL8583595

CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2cccc(Oc3ccccc3CN)c2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.44
RPS6KA1 Q15418 1/20 0.35
CXCR5 P32302 7/20 0.34
KDM1A O60341 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
BACE1 P56817 1/20 0.31
PYGL P06737 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
SCHEMBL8579256 0.87 GHSR (0.44) GHSRRPS6KA1CXCR5KDM1ADPP8
SCHEMBL8997625 0.84 GHSR (0.37) GHSRRPS6KA1KDM1ADPP8DPP9
SCHEMBL8581093 0.84 GHSR (0.40) GHSRRPS6KA1NAMPT
SCHEMBL8580646 0.82 GHSR (0.42) GHSRCXCR5LMNASMN1; SMN2
SCHEMBL8845267 0.81 GHSR (0.42) GHSRCXCR5
SCHEMBL8845155 0.81 GHSR (0.42) GHSRCXCR5
SCHEMBL8845103 0.81 GHSR (0.41) GHSRCXCR5
SCHEMBL8585491 0.80 GHSR (0.42) GHSRCXCR5KDM1ALMNAMTNR1A
SCHEMBL8614342 0.80 GHSR (0.40) GHSRCXCR5KDM1A
SCHEMBL8581652 0.78 GHSR (0.48) GHSRCXCR5BACE1PYGL

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-5837807-A DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed