SCHEMBL7110339

SCHEMBL7110339

CC(OCC(=O)O)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
OPRD1 P41143 11/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
OPRM1 P35372 4/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
KCNH2 Q12809 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL8039857 0.75 SMN1; SMN2 (0.37) CHRM5CHRM3SMN1; SMN2OPRD1SIGMAR1
SCHEMBL7307461 0.75 SMN1; SMN2 (0.37) CHRM5CHRM3SMN1; SMN2OPRD1SIGMAR1
SCHEMBL13263 0.74 SMN1; SMN2 (0.38) CHRM5CHRM3SMN1; SMN2SIGMAR1SLC6A2
SCHEMBL27801253 0.72 TSHR (0.39) CHRM5CHRM3SMN1; SMN2OPRD1SIGMAR1
SCHEMBL11714831 0.72 TSHR (0.39) CHRM5CHRM3SMN1; SMN2OPRD1SIGMAR1
Propionic Acid SCHEMBL28240809 0.72 SIGMAR1 (0.41) CHRM5CHRM3OPRD1SIGMAR1SLC6A2
SCHEMBL11818265 0.72 SLC6A2 (0.38) CHRM5CHRM3SMN1; SMN2SIGMAR1SLC6A2
SCHEMBL14142190 0.72 SMN1; SMN2 (0.35) CHRM5CHRM3SMN1; SMN2SLC6A2SLC6A4
SCHEMBL8693562 0.71 CHRM5 (0.38) CHRM5CHRM3SMN1; SMN2OPRD1SIGMAR1
SCHEMBL14142349 0.70 SMN1; SMN2 (0.34) SMN1; SMN2SLC6A2SLC6A4KCNH2

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-1157016-B1 A PROCESS FOR THE PREPARATION OF 2- 2- 4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY ACETIC ACID COMPOUNDS OR SALTS THEREOF GEA FARMACEUTISK FABRIK AS (DK) 2003-10-08 EP disclosed
EP-1157016-A1 A PROCESS FOR THE PREPARATION OF 2- 2- 4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY ACETIC ACID COMPOUNDS OR SALTS THEREOF A/S GEA Farmaceutisk Fabrik (DK) 2001-11-28 EP disclosed
WO-2000052000-A1 A PROCESS FOR THE PREPARATION OF 2-{2-[4-(DIPHENYLMETHYL)-1-PIPERAZINYL]ETHOXY}ACETIC ACID COMPOUNDS OR SALTS THEREOF A/S GEA FARMACEUTISK FABRIK (DK) 2000-09-08 WO disclosed