SCHEMBL9729943

SCHEMBL9729943

CC1(C)CC2(CC(C)(C)C(=O)N2)NC1=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL14136016 0.78 SMN1; SMN2 (0.31) TSHRNPSR1
SCHEMBL83504 0.73 TSHR (0.33) TSHRNPSR1
SCHEMBL14665131 0.70 TSHR (0.39) TSHRNPSR1
SCHEMBL14663989 0.70
SCHEMBL3147309 0.65 CTSK (0.31)
SCHEMBL13543142 0.65
SCHEMBL15165512 0.65 MMP2 (0.46) TSHR
SCHEMBL14446948 0.64
SCHEMBL20645927 0.64 MMP9 (0.44) TSHR
SCHEMBL1338593 0.61

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-5093499-A Spirodilactam derivatives SHELL OIL COMPANY (US) 1992-03-03 US disclosed