SCHEMBL9444101

SCHEMBL9444101

Cc1cc2c(s1)C(=O)c1ccccc1[C@@]2(O)C1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 8/20 0.34
PARP1 P09874 3/20 0.34
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
USP2 O75604 1/20 0.32
HTR3B O95264 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
GAA P10253 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
SCHEMBL9485272 1.00 MAPK1 (0.51) MAPK1SMN1; SMN2L3MBTL1ACHEPARP1
SCHEMBL9444177 0.81 L3MBTL1 (0.57) MAPK1SMN1; SMN2L3MBTL1ACHECHRM3
Hydrochloric Acid SCHEMBL9444156 0.81 L3MBTL1 (0.56) MAPK1SMN1; SMN2L3MBTL1ACHECHRM3
SCHEMBL9631976 0.78 MAPK1 (0.73) MAPK1SMN1; SMN2L3MBTL1ACHECHRM3
SCHEMBL9485311 0.76 MAPK1 (0.46) MAPK1SMN1; SMN2L3MBTL1ACHECHRM3
SCHEMBL9486504 0.75 L3MBTL1 (0.49) MAPK1SMN1; SMN2L3MBTL1ACHECHRM3
SCHEMBL9492935 0.74 MAPK1 (0.44) MAPK1SMN1; SMN2L3MBTL1ACHEPARP1
Hydrochloric Acid SCHEMBL9853409 0.73 MAPK1 (0.51) MAPK1SMN1; SMN2L3MBTL1ACHEMEN1
SCHEMBL13921299 0.69 MAPK1 (0.82) MAPK1SMN1; SMN2L3MBTL1ACHECHRM3
SCHEMBL9486682 0.68 L3MBTL1 (0.43) MAPK1SMN1; SMN2L3MBTL1ACHEPARP1

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
US-5227388-A Analgesics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-07-13 US disclosed