SCHEMBL20116267

SCHEMBL20116267

N#Cc1cccc(N2C[C@@H](CC(=O)N3CCC(c4nc(-c5ccc6cnn(C7COC7)c6c5)no4)CC3)CC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMO Q99835 3/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL20116719 0.90 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2SMO
SCHEMBL20676644 0.90 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2SMO
SCHEMBL20116709 0.90 GRM5 (0.42) GRM5ALDH1A1POLBSMN1; SMN2SMO
SCHEMBL20676307 0.89 GRM5 (0.39) GRM5LMNAALDH1A1POLBCYP3A4
SCHEMBL20116743 0.82 LMNA (0.52) LMNAALDH1A1POLBCYP3A4MAPT
SCHEMBL20676643 0.81 GRM5 (0.50) GRM5
SCHEMBL20116269 0.79 GRM5 (0.42) GRM5LMNAMAPTHTTSMN1; SMN2
SCHEMBL20676702 0.79 GRM5 (0.42) GRM5LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL20116359 0.79 GRM5 (0.42) GRM5LMNAALDH1A1POLBSMN1; SMN2
SCHEMBL20116351 0.79 GRM5 (0.42) GRM5LMNAALDH1A1POLBSMN1; SMN2

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