SCHEMBL9393233

SCHEMBL9393233

O=C(OC1CCCN1Cc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 2/20 0.45
MAOB P27338 1/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA4 P43681 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
OPRD1 P41143 2/20 0.44
OPRM1 P35372 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL8683051 0.84 ALDH1A1 (0.51) MEN1KMT2ABCHEOPRD1
SCHEMBL26135660 0.81 SCN1A (0.49) MEN1KMT2ACHRNA7CHRNB2CHRNA5
SCHEMBL18832119 0.80 BCHE (0.46) NPSR1BCHEMAOBOPRD1
SCHEMBL29014297 0.80 OPRD1 (0.48) SPHK1OPRD1
SCHEMBL2771500 0.78 GBA1 (0.50) MEN1KMT2ABCHEMAOBOPRD1
SCHEMBL11038501 0.77 SCN1A (0.46) MEN1KMT2ACHRNA7CHRNB2CHRNA5
SCHEMBL30724547 0.76 SIGMAR1 (0.49)
SCHEMBL7508265 0.75 ALDH1A1 (0.44) SPHK1
SCHEMBL6659539 0.75 ALDH1A1 (0.44) SPHK1
SCHEMBL765918 0.75 CARM1 (0.57) MEN1KMT2ABCHEMAOBCHRNA7

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-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed