SCHEMBL4844574

SCHEMBL4844574

COC(=O)C1c2ccc(OCc3cc(N)ccc3Cl)cc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 20/20 0.53

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
SCHEMBL3068564 1.00 GHSR (0.53) GHSR
SCHEMBL3067301 0.92 GHSR (0.53) GHSR
SCHEMBL3072627 0.89 GHSR (0.57) GHSR
SCHEMBL3081136 0.88 GHSR (0.52) GHSR
SCHEMBL3069855 0.87 GHSR (0.52) GHSR
SCHEMBL3068566 0.87 GHSR (0.45) GHSR
SCHEMBL3069232 0.86 GHSR (0.53) GHSR
SCHEMBL3068013 0.86 GHSR (0.55) GHSR
SCHEMBL13139355 0.86 GHSR (0.52) GHSR
SCHEMBL3066584 0.85 GHSR (0.57) GHSR

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
EP-1951675-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS Brystol-Myers Squibb Company (US) 2008-08-06 EP disclosed
WO-2007047991-A1 TETRAHYDROISOQUINOLINE AS LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-26 WO disclosed