SCHEMBL8488533

SCHEMBL8488533

NC(=O)CC(C(N)=O)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.36
PLAUR Q03405 1/20 0.36
OPRD1 P41143 4/20 0.36
SIGMAR1 Q99720 2/20 0.36
SLC6A4 P31645 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
LMNA P02545 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL15522561 0.85 OPRD1 (0.38) PLAUPLAUROPRD1SIGMAR1SLC6A4
SCHEMBL19839947 0.85 OPRD1 (0.38) PLAUPLAUROPRD1SIGMAR1SLC6A4
SCHEMBL4559725 0.81 CA2 (0.42) OPRD1SIGMAR1CHRM5CHRM3CA2
SCHEMBL9162742 0.81 PLAU (0.36) PLAUPLAUROPRD1SIGMAR1SLC6A4
SCHEMBL10413132 0.80 SIGMAR1 (0.43) PLAUPLAUROPRD1SIGMAR1SLC6A4
SCHEMBL28706411 0.79 LMNA (0.45) OPRD1SIGMAR1SLC6A4CHRM5CHRM3
SCHEMBL28716337 0.79 LMNA (0.45) OPRD1SIGMAR1SLC6A4CHRM5CHRM3
SCHEMBL1077282 0.79 SIGMAR1 (0.38) OPRD1SIGMAR1SLC6A4CHRM5CHRM3
SCHEMBL2764645 0.79 SIGMAR1 (0.38) PLAUPLAUROPRD1SIGMAR1SLC6A4
SCHEMBL1905214 0.78 SIGMAR1 (0.47) SIGMAR1SLC6A4CA2CA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907671-A1 POLYAMIDE COMPOSITIONS FOR REMOVAL OF POLYPHENOLS FROM LIQUIDS W.R. Grace & Co.-Conn. (US) 1999-04-14 EP disclosed
US-5856429-A PIPERAZINE CONTAINING POLYAMIDE W. R. GRACE & CO.-CONN. (US) 1999-01-05 US disclosed
WO-1998000453-A1 POLYAMIDE COMPOSITIONS FOR REMOVAL OF POLYPHENOLS FROM LIQUIDS W.R. GRACE & CO.-CONN. (US) 1998-01-08 WO disclosed