SCHEMBL9044216

SCHEMBL9044216

CN1CCC(C2(O)c3ccccc3CCc3cn[nH]c32)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM1A O60341 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL9041740 0.75 MAPK1 (0.64) MAPK1SMN1; SMN2L3MBTL1MEN1
SCHEMBL8709456 0.75 MAPK1 (0.72) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL13921299 0.74 MAPK1 (0.82) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL11521605 0.73 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL10409949 0.73 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL9040571 0.73 MAPK1 (0.60) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL9039655 0.72 MAPK1 (0.72) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL2151191 0.72 MAPK1 (0.77) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL11204393 0.70 MAPK1 (0.68) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL7142067 0.70 MAPK1 (0.64) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4

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