SCHEMBL9809901

SCHEMBL9809901

CCN(CC)CCN1COc2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.46
MAOB P27338 9/20 0.44
MAOA P21397 5/20 0.41
BCHE P06276 4/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
DNMT1 P26358 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
UHRF1 Q96T88 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL9143963 0.82 DRD3 (0.46) ACHEMAOBKMT2AALDH1A1DRD2
SCHEMBL7386417 0.80 ALDH1A1 (0.46) NPC1MITFRAB9AKMT2ASMN1; SMN2
SCHEMBL13438368 0.78 TSHR (0.39) MAOBBCHEKMT2AKDM4EDRD2
SCHEMBL6947117 0.78 TSHR (0.41) MAOBNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL8980599 0.78 TSHR (0.41) MAOBHTTKMT2ASMN1; SMN2KDM4E
SCHEMBL8639215 0.78 TSHR (0.41) MAOBKMT2ASMN1; SMN2KDM4E
SCHEMBL8980560 0.78 PKM (0.36) MAOBL3MBTL1KDM4E
SCHEMBL13063351 0.77 PKM (0.38) BCHEDRD2DRD3
Oxalic Acid SCHEMBL9140831 0.77 DRD3 (0.42) ACHEPOLBHTTKMT2AALDH1A1
SCHEMBL8578943 0.75 PRMT5 (0.39) NPC1HTTRAB9AKMT2ASMN1; 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
US-5071850-A Cardiovascular disorders PIERRE FABRE MEDICAMENT (FR) 1991-12-10 US disclosed