SCHEMBL6612905

SCHEMBL6612905

CC1(C)C[N]C[C@H]1c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CHRNA7 P36544 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
PDE10A Q9Y233 1/20 0.39
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
GRM2 Q14416 1/20 0.37
ADRA2A P08913 1/20 0.37
FBP1 P09467 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL25908757 0.72 CHRNA7 (0.46) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL4275205 0.70 CHRNA7 (0.44) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL9533470 0.69 KMT2A (0.77) MEN1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL19781780 0.68 MEN1 (0.53) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL16727581 0.68 KMT2A (0.49) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL25908578 0.68 KMT2A (0.52) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL31145098 0.68 KMT2A (0.52) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL22084261 0.67 MEN1 (0.56) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL28708297 0.67 MEN1 (0.56) MEN1KMT2ACHRNA7SMN1; SMN2TP53
SCHEMBL1588423 0.67 KMT2A (0.69) MEN1KMT2ASMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448554-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SmithKline Beecham Corporation (US) 2004-08-25 EP claimed
WO-2003031437-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
EP-1448554-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SmithKline Beecham Corporation (US) 2004-08-25 EP disclosed
WO-2003031437-A1 PROPYLCARBAMATE DERIVATIVES AS INHIBITORS OF SERINE AND CYSTEINE PROTEASES SMITHKLINE BEECHAM CORPORATION (US) 2003-04-17 WO disclosed