SCHEMBL27368366

SCHEMBL27368366

CC(NC(=O)c1ccccc1Cl)C1CNCCO1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 4/20 0.47
P2RX7 Q99572 1/20 0.46
SSTR4 P31391 1/20 0.43
SLC6A3 Q01959 1/20 0.42
POLB P06746 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 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
SCHEMBL28874953 0.80 TP53 (0.45) ALDH1A1SLC6A2SLC6A4POLBHSD17B10
SCHEMBL2975397 0.80 BDKRB1 (0.41) GAAKDM4EALDH1A1SSTR4SMN1; SMN2
SCHEMBL3764748 0.78 SSTR4 (0.43) KDM4EALDH1A1SLC6A2SLC6A4SSTR4
SCHEMBL29061013 0.77 MEN1 (0.49) KDM4EALDH1A1POLBHSD17B10NPC1
SCHEMBL27948473 0.76 SSTR4 (0.42) ALDH1A1SSTR4SMN1; SMN2NPC1RAB9A
SCHEMBL28001409 0.75 ALDH1A1 (0.40) ALDH1A1SSTR4SMN1; SMN2
SCHEMBL1662863 0.74 SSTR4 (0.41) ALDH1A1SLC6A2SLC6A4SSTR4POLB
SCHEMBL27978405 0.73 SLC6A2 (0.41) GAASLC6A2SLC6A4SSTR4SLC6A3
SCHEMBL28212523 0.73 ALDH1A1 (0.40) ALDH1A1SSTR4SMN1; SMN2MEN1KMT2A
SCHEMBL6938281 0.71 GAA (0.45) GAASLC6A2SLC6A4SSTR4SLC6A3

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
CN-1052977-C Method for preparing moclobemide SHANGHAI PHARMACEUTICAL INDUST (CN) 2000-05-31 CN disclosed
CN-1160047-A Method for preparing moclobemide SHANGHAI PHARMACEUTICAL INDUST (CN) 1997-09-24 CN disclosed