Sugi Predict

Sugi Predict / Compounds / SCHEMBL17243935

SCHEMBL17243935

SCHEMBL17243935

CCC[C@@H]1NC(=O)[C@@](C)(C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCCOc2ccccc2/C=C/CNC1=O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 13/20 0.69
▸ MLNR O43193 7/20 0.61

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
SCHEMBL15139386 0.91 GHSR (0.67) GHSRMLNR
SCHEMBL75341 0.86 MLNR (0.83) GHSRMLNR
SCHEMBL18117477 0.85 MLNR (0.75) GHSRMLNR
SCHEMBL74394 0.78 MLNR (0.81) GHSRMLNR
SCHEMBL75358 0.76 MLNR (1.00) GHSRMLNR
SCHEMBL12094312 0.75 MLNR (0.65) GHSRMLNR
SCHEMBL2759178 0.72 GHSR (0.86) GHSR
SCHEMBL14629111 0.72 GHSR (0.85) GHSR
SCHEMBL18117476 0.72 GHSR (0.58) GHSR
SCHEMBL804510 0.72 GHSR (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 — — US disclosed