SCHEMBL8415966

SCHEMBL8415966

NCC1CCC(N2CC(CCC(=O)O)N(c3ccccc3)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
CHRM3 P20309 4/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
F10 P00742 3/20 0.32
HPN P05981 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
HGFAC Q04756 2/20 0.32
ST14 Q9Y5Y6 2/20 0.32
DRD2 P14416 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
SCHEMBL8415964 0.89 GAA (0.35) F2F11KLKB1ALDH1A1F10
SCHEMBL8416979 0.88 PTGER3 (0.35) F2PTGER3PTGER2KDM4EALDH1A1
SCHEMBL8413743 0.82 PTGER3 (0.38) F2PTGER3PTGER2F10HPN
SCHEMBL8415390 0.78 GAA (0.37) F2ALDH1A1
SCHEMBL8416045 0.74 GAA (0.39) KDM4EALDH1A1MAPT
SCHEMBL8573582 0.72 SMN1; SMN2 (0.38) KDM4EALDH1A1
SCHEMBL8575501 0.72 PTGER3 (0.35) PTGER3PTGER2ITGB3ITGA2B
SCHEMBL8572803 0.70 CHRM3 (0.48) F2CHRM2CHRM3F10HPN
SCHEMBL11021780 0.68 PTGER2 (0.62) PTGER3PTGER2KDM4EALDH1A1
SCHEMBL8575472 0.68 PTGER3 (0.38) PTGER3PTGER2F10

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
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed