SCHEMBL8614342

SCHEMBL8614342

CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2cccc(Oc3ncccc3N)c2C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.40
KDM4E B2RXH2 1/20 0.33
KDM1A O60341 1/20 0.33
P2RY1 P47900 10/20 0.33
CXCR5 P32302 4/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
AKT1 P31749 1/20 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
SCHEMBL8579256 0.88 GHSR (0.44) GHSRKDM1ACXCR5
SCHEMBL8580922 0.86 MEN1 (0.44) GHSRKDM4EP2RY1
SCHEMBL8997628 0.81 CA1 (0.34) GHSRKDM4EP2RY1
SCHEMBL8583595 0.80 GHSR (0.44) GHSRKDM1ACXCR5
SCHEMBL8845144 0.79 GHSR (0.39) GHSRP2RY1
SCHEMBL8585491 0.77 GHSR (0.42) GHSRKDM1ACXCR5
SCHEMBL8580646 0.77 GHSR (0.42) GHSRCXCR5
SCHEMBL1162415 0.77 GHSR (0.48) GHSRCXCR5
SCHEMBL1162409 0.77 GHSR (0.48) GHSRCXCR5
SCHEMBL8581652 0.77 GHSR (0.48) GHSRCXCR5

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