SCHEMBL7607654

SCHEMBL7607654

CN1CCN(C(CO)OCCCN2CCNCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CXCR4 P61073 2/20 0.36
SIGMAR1 Q99720 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
PHGDH O43175 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL7161466 0.82 HRH3 (0.41) HRH2HRH1SMN1; SMN2SIGMAR1HRH3
SCHEMBL7246376 0.80 CYP1A2 (0.45) HRH2HRH1HRH3ALDH1A1KDM4E
SCHEMBL1719282 0.76 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL2573857 0.74 ALDH1A1 (0.40) SMN1; SMN2SIGMAR1HRH3MEN1KMT2A
SCHEMBL4500330 0.73 PHGDH (0.36) HRH2HRH1SMN1; SMN2CXCR4HRH3
SCHEMBL2621583 0.73 SMN1; SMN2 (0.49) HRH2HRH1SMN1; SMN2CXCR4SIGMAR1
SCHEMBL7607650 0.72 HRH2 (0.41) HRH2HRH1SMN1; SMN2CXCR4SIGMAR1
SCHEMBL4500328 0.72 HRH2 (0.41) HRH2HRH1SMN1; SMN2CXCR4SIGMAR1
SCHEMBL4754794 0.71 SMN1; SMN2 (0.35) SMN1; SMN2SIGMAR1
SCHEMBL5492084 0.70 CNR2 (0.35) SMN1; SMN2HRH3MEN1KMT2AALDH1A1

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
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed