SCHEMBL12371021

SCHEMBL12371021

CC(C)C(=O)CCC1CNc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.37

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
SCHEMBL12397032 0.84 MTNR1A (0.40) CCKBR
SCHEMBL6890519 0.82 EGFR (0.50) CCKBR
SCHEMBL12115366 0.81 EGFR (0.51) CCKBR
SCHEMBL19172524 0.80 EGFR (0.44)
SCHEMBL10819633 0.80 ALDH1A1 (0.37) CCKBR
SCHEMBL8524579 0.77 EGFR (0.52) CCKBR
SCHEMBL8524717 0.77 EGFR (0.47) CCKBR
SCHEMBL12680063 0.75 IDO1 (0.39) CCKBR
SCHEMBL1688324 0.75 CCKBR (0.40) CCKBR
SCHEMBL3957829 0.75 CCKBR (0.40) 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-7994140-B2 Classes of compounds that interact with GPCRs ALCHEMIA LIMITED (AU) 2011-08-09 US disclosed