SCHEMBL9039655

SCHEMBL9039655

CN1CCC(C2(O)C(=O)CCCc3ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.50
CHRM2 P08172 3/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2A P08913 1/20 0.40
SRD5A1 P18405 1/20 0.39
KDM1A O60341 2/20 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 0.78 MAPK1 (0.82) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL11521605 0.75 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL10409949 0.75 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL14430479 0.74 MAPK1 (0.61) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL11204393 0.74 MAPK1 (0.68) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL8709456 0.74 MAPK1 (0.72) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL11883256 0.74 MAPK1 (0.64) MAPK1SMN1; SMN2L3MBTL1
SCHEMBL9631976 0.73 MAPK1 (0.73) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL2151191 0.72 MAPK1 (0.77) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3
SCHEMBL9044216 0.72 MAPK1 (0.69) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339978-B1 Fused polycyclic compounds, compositions, methods of manufacture, and their use as PAF antagonists, antihistamines and/or antiinflammatory agents SCHERING CORP (US) 1996-08-21 EP disclosed
EP-0412988-A1 FUSED POLYCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND THEIR USE AS PAF ANTAGONISTS, ANTIHISTAMINES AND/OR ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1991-02-20 EP disclosed
EP-0339978-A1 Fused polycyclic compounds, compositions, methods of manufacture, and their use as PAF antagonists, antihistamines and/or antiinflammatory agents SCHERING CORPORATION (US) 1989-11-02 EP disclosed
WO-1989010363-A1 FUSED POLYCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF MANUFACTURE AND THEIR USE AS PAF ANTAGONISTS, ANTIHISTAMINES AND/OR ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1989-11-02 WO disclosed