SCHEMBL8679405

SCHEMBL8679405

CC1CC2N(C)C(=O)CC(Oc3ccc(NC(=O)c4ccccc4)cc3)[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
OPRD1 P41143 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
F10 P00742 1/20 0.33
PGR P06401 1/20 0.33
KDM1A O60341 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8642307 0.83 SRD5A1 (0.32)
SCHEMBL8996754 0.83 SRD5A1 (0.31)
SCHEMBL8639398 0.82 MMP12 (0.30)
SCHEMBL8632775 0.82
SCHEMBL8636806 0.81 GPR119 (0.33)
SCHEMBL8637608 0.81 TRPC6 (0.34) HRH3
SCHEMBL8523650 0.80
SCHEMBL8677090 0.79 CHRNB2 (0.32) MEN1KMT2A
SCHEMBL8522986 0.78 SRD5A1 (0.35)
SCHEMBL8523844 0.78 CYP19A1 (0.33)

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