SCHEMBL6936628

SCHEMBL6936628

CCC(C)n1ncn(-c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.68
MAPT P10636 5/20 0.68
LMNA P02545 4/20 0.68
HTT P42858 3/20 0.68
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
GAA P10253 1/20 0.68
DGAT1 O75907 5/20 0.61
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.44
GPR119 Q8TDV5 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
NAMPT P43490 1/20 0.43
RET P07949 1/20 0.43
NPC1 O15118 1/20 0.42
NR2F2 P24468 1/20 0.42

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
SCHEMBL6943134 0.89 DGAT1 (0.58) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL6944995 0.82 MAPT (0.48) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL3111183 0.81 MAPT (1.00) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL3107523 0.81 MAPT (1.00) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL2543291 0.81 MAPT (1.00) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL23355207 0.81 MAPT (0.73) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL8930583 0.81 MAPT (0.81) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL23355483 0.80 MAPT (0.80) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL12240584 0.80 MAPT (0.80) SMN1; SMN2MAPTLMNAHTTALDH1A1
SCHEMBL19730460 0.80 MAPT (0.80) SMN1; SMN2MAPTLMNAHTTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed