SCHEMBL8934908

SCHEMBL8934908

O=C(Cc1ccc(O)cc1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ME2 P23368 5/20 0.57
ME1 P48163 5/20 0.57
ME3 Q16798 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.47
CA2 P00918 2/20 0.47
CAMK2A Q9UQM7 1/20 0.47
MAPT P10636 2/20 0.46
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
Hydrochloric Acid SCHEMBL9951192 0.98 ME2 (0.56) ME2ME1ME3SMN1; SMN2NPC1
SCHEMBL3673014 0.93 SMN1; SMN2 (0.58) ME2ME1ME3SMN1; SMN2NPC1
SCHEMBL13195578 0.85 SMN1; SMN2 (0.64) ME2ME1ME3SMN1; SMN2NPC1
SCHEMBL15985154 0.85 SMN1; SMN2 (0.69) ME2ME1ME3SMN1; SMN2NPC1
SCHEMBL8934905 0.85 ME2 (0.57) ME2ME1ME3NPC1POLB
SCHEMBL24819373 0.84 SMN1; SMN2 (0.50) SMN1; SMN2NPC1HPGDPOLBMAPT
SCHEMBL8908929 0.84 POLB (0.67) ME2ME1ME3SMN1; SMN2NPC1
SCHEMBL13858035 0.84 SMN1; SMN2 (0.73) SMN1; SMN2NPC1HPGDPOLBMAPT
SCHEMBL4671683 0.84 GFER (0.61) ME2ME1ME3SMN1; SMN2NPC1
SCHEMBL27253358 0.84 MEN1 (0.65) SMN1; SMN2NPC1HPGDPOLBMEN1

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
WO-1996029088-A1 NOVEL PIPERAZINE DERIVATIVES AS TYPE IL-1 RECEPTOR ANTAGONISTS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-09-26 WO disclosed