SCHEMBL9631976

SCHEMBL9631976

CN1CCC(C2(O)c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.44
PDK2 Q15119 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ACHE P22303 4/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38

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
SCHEMBL13921299 0.85 MAPK1 (0.82) MAPK1SMN1; SMN2L3MBTL1ACHECHRM2
SCHEMBL7819239 0.83 MAPK1 (0.49) MAPK1SMN1; SMN2L3MBTL1PDK2SLC6A2
SCHEMBL9444177 0.80 L3MBTL1 (0.57) MAPK1SMN1; SMN2L3MBTL1POLBPDK2
Hydrochloric Acid SCHEMBL9444156 0.79 L3MBTL1 (0.56) MAPK1SMN1; SMN2L3MBTL1POLBPDK2
Hydrochloric Acid SCHEMBL9853409 0.78 MAPK1 (0.51) MAPK1SMN1; SMN2L3MBTL1POLBACHE
SCHEMBL9444101 0.78 MAPK1 (0.51) MAPK1SMN1; SMN2L3MBTL1PDK2SLC6A4
SCHEMBL9485272 0.78 MAPK1 (0.51) MAPK1SMN1; SMN2L3MBTL1PDK2SLC6A4
SCHEMBL7312265 0.78 PDK2 (0.45) MAPK1SMN1; SMN2L3MBTL1PDK2KMT2A
SCHEMBL7295187 0.76 L3MBTL1 (0.70) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL9485683 0.75 L3MBTL1 (0.68) MAPK1SMN1; SMN2L3MBTL1SLC6A2SLC6A4

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-5079249-A Serotine antagonists at 5-HT2 level, antiallergens, antihistamines ADIR ET COMPAGNIE (FR) 1992-01-07 US disclosed
US-5071847-A BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS ADIR ET COMPAGNIE (FR) 1991-12-10 US disclosed
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 US disclosed