SCHEMBL20116710

SCHEMBL20116710

N#Cc1cccc(N2CC(C(=O)N3CCC(c4nc(-c5ccc(C=N)c(NC6COC6)c5)no4)CC3)CC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.39
SMO Q99835 3/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL20676644 0.83 GRM5 (0.42) GRM5SMOALDH1A1POLBSMN1; SMN2
SCHEMBL20116709 0.83 GRM5 (0.42) GRM5SMOALDH1A1POLBSMN1; SMN2
SCHEMBL20116719 0.83 GRM5 (0.42) GRM5SMOALDH1A1POLBSMN1; SMN2
SCHEMBL20676702 0.78 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2
SCHEMBL20116359 0.78 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2
SCHEMBL20116351 0.78 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2
SCHEMBL22357845 0.78 GRM5 (0.42) GRM5
SCHEMBL22358358 0.78 GRM5 (0.46) GRM5SMOALDH1A1
SCHEMBL22357853 0.78 GRM5 (0.42) GRM5
SCHEMBL22358113 0.78 GRM5 (0.42) GRM5

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