SCHEMBL9718397

SCHEMBL9718397

CN1C(=O)[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 18/20 0.68
SCN9A Q15858 1/20 0.62

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
SCHEMBL7492908 0.86 SCN9A (0.75) CCKBRSCN9A
SCHEMBL7426585 0.83 CCKBR (0.69) CCKBR
SCHEMBL9866668 0.81 CCKBR (1.00) CCKBR
SCHEMBL2927644 0.81 CCKBR (0.78) CCKBR
SCHEMBL7207460 0.81 CCKBR (0.78) CCKBR
SCHEMBL9868269 0.80 CCKBR (1.00) CCKBR
SCHEMBL9865804 0.79 CCKBR (1.00) CCKBR
SCHEMBL14180298 0.79 CCKBR (0.82) CCKBR
SCHEMBL9868898 0.79 CCKBR (1.00) CCKBR
SCHEMBL14180306 0.79 CCKBR (0.74) CCKBR

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-5175159-A Prevention of premature labor MERCK & CO., INC. (US) 1992-12-29 US disclosed