SCHEMBL20116739

SCHEMBL20116739

CC(C)n1ncc2ccc(N3CC4(CCN(C=O)CC4)OC3=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 14/20 0.41
ADRA1A P35348 5/20 0.37
NPY5R Q15761 5/20 0.37
KCNH2 Q12809 2/20 0.37
OPRM1 P35372 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL20116098 0.81 SSTR5 (0.41) SSTR5
SCHEMBL20676639 0.69 MAPT (0.37)
SCHEMBL20116708 0.67 KIT (0.37)
SCHEMBL20116804 0.64 MAPT (0.34)
SCHEMBL20117183 0.64 MAPT (0.40)
SCHEMBL29426821 0.64 HDAC8 (0.36)
SCHEMBL20116438 0.63 TSHR (0.43)
SCHEMBL20116749 0.63 NR1H4 (0.45) KCNH2
SCHEMBL19373594 0.61 KMO (0.40)
SCHEMBL30410846 0.61 CHEK1 (0.41) KCNH2OPRM1

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed