SCHEMBL7274308

SCHEMBL7274308

CCOC(=O)NC1(C(=O)O)CCc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.52
PYGL P06737 1/20 0.46
CXCR5 P32302 14/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41

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
SCHEMBL7274318 1.00 GHSR (0.52) GHSRPYGLCXCR5SMN1; SMN2GAA
SCHEMBL7274311 1.00 GHSR (0.52) GHSRPYGLCXCR5SMN1; SMN2GAA
SCHEMBL10720970 0.90 CXCR5 (0.53) CXCR5GAA
SCHEMBL5835274 0.86 GHSR (0.65) GHSRPYGLCXCR5
SCHEMBL18614234 0.83 GHSR (0.63) GHSRPYGLCXCR5
SCHEMBL29715495 0.83 GHSR (0.63) GHSRPYGLCXCR5
SCHEMBL2813574 0.83 GHSR (0.63) GHSRPYGLCXCR5
SCHEMBL5835511 0.81 GHSR (0.45) GHSRPYGLCXCR5
SCHEMBL7268200 0.80 PYGL (0.48) GHSRPYGLCXCR5
SCHEMBL1157171 0.80 EPHX2 (0.46) GHSRPYGL

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-4680284-A RENNIN INHIBITORS, HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1987-07-14 US disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 EP disclosed