SCHEMBL28547431

SCHEMBL28547431

c1ccc2c(c1)CCNC2c1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.53
GAA P10253 1/20 0.51
RECQL P46063 1/20 0.51
GID4 Q8IVV7 1/20 0.44
MAPT P10636 3/20 0.42
SLC22A1 O15245 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM1A O60341 1/20 0.39
SMO Q99835 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
SCHEMBL2725734 0.77 PRCP (0.50) PRCPGAARECQLGID4MAPT
SCHEMBL28995850 0.76 ADRA1A (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27737121 0.74 ADRA1A (0.51) GID4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5023257 0.73 RECQL (0.59) PRCPGAARECQLGID4MAPT
SCHEMBL7702387 0.73 RECQL (0.59) PRCPGAARECQLGID4MAPT
SCHEMBL7698338 0.73 RECQL (0.59) PRCPGAARECQLGID4MAPT
SCHEMBL7433439 0.72 PRCP (0.49) PRCPGAARECQLGID4MAPT
SCHEMBL1597975 0.72 KDM1A (0.69) PRCPGAARECQLGID4TSHR
SCHEMBL7704168 0.72 PRCP (0.61) PRCPGAARECQLGID4MAPT
SCHEMBL7704163 0.72 PRCP (0.61) PRCPGAARECQLGID4MAPT

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
CN-112566894-A Potent inhibitors of D-amino acid oxidase (DAAO) and uses thereof 心悦生医股份有限公司 2021-03-26 CN disclosed