SCHEMBL8415964

SCHEMBL8415964

COC(=O)CCC1CN(C2CCC(CN)CC2)C(=O)N1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
CTSG P08311 1/20 0.33
CMA1 P23946 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
SLC6A4 P31645 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
HPN P05981 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
HGFAC Q04756 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL8415390 0.89 GAA (0.37) GAAALDH1A1L3MBTL1TSHRCTSG
SCHEMBL8415966 0.89 F2 (0.37) ALDH1A1F11KLKB1F2F10
SCHEMBL8416045 0.83 GAA (0.39) GAAALDH1A1L3MBTL1TSHR
SCHEMBL8572803 0.82 CHRM3 (0.48) F2F10HPNPRSS1PRSS2
SCHEMBL8573582 0.82 SMN1; SMN2 (0.38) GAAALDH1A1L3MBTL1TSHR
SCHEMBL8573046 0.79 HTT (0.52) ALDH1A1L3MBTL1
SCHEMBL8416979 0.78 PTGER3 (0.35) ALDH1A1F2F10HPNPRSS1
SCHEMBL8575092 0.74 CTSG (0.43) GAAALDH1A1L3MBTL1TSHRCTSG
SCHEMBL8413743 0.74 PTGER3 (0.38) F2F10HPNPRSS1PRSS2
Hydrochloric Acid SCHEMBL8575626 0.74 CTSG (0.42) GAAALDH1A1L3MBTL1TSHRCTSG

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 2 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-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed