SCHEMBL11680901

SCHEMBL11680901

CCOC(=O)/C=C1/CCN(C(=O)OCC)CC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
MDM2 Q00987 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
BCHE P06276 1/20 0.40
GRM5 P41594 2/20 0.40
CHRM5 P08912 1/20 0.40

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
SCHEMBL11680904 1.00 L3MBTL1 (0.45) L3MBTL1MEN1KMT2ATSHRGAA
SCHEMBL11538529 0.82 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ATSHRGAA
SCHEMBL13711175 0.78 GAA (0.37) L3MBTL1TSHRGAASMN1; SMN2ALDH1A1
SCHEMBL30262299 0.76 ALDH1A1 (0.40) L3MBTL1MEN1KMT2ATSHRGAA
SCHEMBL18301302 0.76 ALDH1A1 (0.40) L3MBTL1MEN1KMT2ATSHRGAA
SCHEMBL18301301 0.76 ALDH1A1 (0.40) L3MBTL1MEN1KMT2ATSHRGAA
SCHEMBL8300960 0.75 MEN1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL14500775 0.75 MEN1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL2797469 0.74 GRM5 (0.55) L3MBTL1MEN1KMT2ATSHRGAA
SCHEMBL8539224 0.74 MEN1 (0.47) L3MBTL1MEN1KMT2ACYP2C19ALDH1A1

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
US-4034095-A ANTIDEPRESSANT, ANTICHOLINERGIC SANDOZ LTD. (CH) 1977-07-05 US disclosed
US-4024265-A ANTIDEPRESSANTS SANDOZ LTD. (CH) 1977-05-17 US disclosed