SCHEMBL7562738

SCHEMBL7562738

Brc1cccc(C2=CCNC(Cc3ccccc3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SLC6A2 P23975 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
MMP2 P08253 1/20 0.34
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
RAB9A P51151 2/20 0.33
MAOB P27338 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL5265951 0.86 POLB (0.44) POLBMEN1KMT2A
SCHEMBL7444323 0.85 POLB (0.41) POLBSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL7432997 0.81 SIGMAR1 (0.41) SLC6A2SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL7435086 0.81 HTR2C (0.49) SLC6A2HRH1HRH4MAOB
SCHEMBL6683579 0.77 POLB (0.37) POLBMEN1KMT2A
SCHEMBL6961333 0.77 POLB (0.39) POLBMEN1KMT2A
SCHEMBL5543765 0.77 POLB (0.39) POLBMEN1KMT2AMAOB
SCHEMBL8370371 0.76 ESR2 (0.43)
SCHEMBL8371294 0.76 CYP2A6 (0.35) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL4789903 0.76 ADRA2A (0.41) HRH1HRH4IDO1ALDH1A1HPGD

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
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed