SCHEMBL9040571

SCHEMBL9040571

CN1CCC(C2(O)c3ccccc3CCc3cnn(Cc4ccccc4)c32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 7/20 0.38
HDAC9 Q9UKV0 1/20 0.37
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36

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
SCHEMBL9044216 0.73 MAPK1 (0.69) MAPK1SMN1; SMN2L3MBTL1SIGMAR1CHRM2
SCHEMBL11631477 0.71 MAPK1 (0.58) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL11559170 0.70 MAPK1 (0.51) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL8709456 0.70 MAPK1 (0.72) MAPK1SMN1; SMN2L3MBTL1HTR2AHTR2C
SCHEMBL13921299 0.69 MAPK1 (0.82) MAPK1SMN1; SMN2L3MBTL1SIGMAR1HTR2A
SCHEMBL10409949 0.69 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1HTR2AHTR2B
SCHEMBL11521605 0.69 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM4
SCHEMBL11204393 0.68 MAPK1 (0.68) MAPK1SMN1; SMN2L3MBTL1SIGMAR1CHRM2
SCHEMBL7142067 0.68 MAPK1 (0.64) MAPK1SMN1; SMN2L3MBTL1SIGMAR1CHRM2
SCHEMBL9039655 0.67 MAPK1 (0.72) 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