SCHEMBL8680375

SCHEMBL8680375

CC(=O)Nc1ccc(OC2C[C@]3(C)[C@H]4CC[C@]5(C)CCC[C@H]5[C@@H]4CC[C@H]3N(C)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
SRD5A1 P18405 3/20 0.34
SLC9A3 P48764 1/20 0.34

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
SCHEMBL8679767 0.87 CDK5 (0.34) GRIN1GRIN2BSRD5A1
SCHEMBL8679342 0.74 SRD5A1 (0.37) GRIN1GRIN2BSRD5A1
SCHEMBL8076029 0.74 NR1I3 (0.47) GRIN1GRIN2B
SCHEMBL8018769 0.73 SRD5A1 (0.41) GRIN1GRIN2BSRD5A1
SCHEMBL8679373 0.73 SRD5A1 (0.37) GRIN1GRIN2BSRD5A1
SCHEMBL8065311 0.73 SRD5A1 (0.52) SRD5A1
SCHEMBL8065309 0.73 SRD5A1 (0.52) SRD5A1
SCHEMBL7711773 0.71 GRIN1 (0.40) GRIN1GRIN2B
SCHEMBL7741693 0.71 CDK5 (0.42) GRIN1GRIN2BSRD5A1
SCHEMBL8007057 0.70 SRD5A1 (0.37) SRD5A1

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
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed