SCHEMBL8460966

SCHEMBL8460966

CC(O)CCCN1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
SIGMAR1 Q99720 3/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
POLB P06746 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35

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
SCHEMBL9801548 0.90 SMN1; SMN2 (0.46) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL22320733 0.90 SMN1; SMN2 (0.46) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL1408782 0.83 CXCR4 (0.50) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL13251374 0.83 CXCR4 (0.50) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
Hydrochloric Acid SCHEMBL27423153 0.82 CXCR4 (0.48) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL23542110 0.80 CXCR4 (0.47) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL22664061 0.80 CXCR4 (0.47) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL602396 0.80 CXCR4 (0.47) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL15187332 0.79 SIGMAR1 (0.43) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3
SCHEMBL15187325 0.79 SIGMAR1 (0.43) CXCR4SMN1; SMN2SIGMAR1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929612-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-21 EP claimed
WO-1998011168-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-19 WO claimed
EP-0929612-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-21 EP disclosed
WO-1998011168-A1 FLOOR FINISH COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-19 WO disclosed