SCHEMBL8709456

SCHEMBL8709456

CN1CCC(C2(O)c3ccccc3CCc3cccnc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.48
CHRM2 P08172 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
OPRL1 P41146 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6198988 0.87 MAPK1 (0.54) MAPK1SMN1; SMN2L3MBTL1OPRL1HTR1A
SCHEMBL9832235 0.86 MAPK1 (0.53) MAPK1SMN1; SMN2L3MBTL1OPRL1HTR1A
SCHEMBL32668926 0.86 MAPK1 (0.53) MAPK1SMN1; SMN2L3MBTL1DRD2HRH1
SCHEMBL4457894 0.86 MAPK1 (0.53) MAPK1SMN1; SMN2L3MBTL1DRD2HRH1
SCHEMBL9592908 0.84 SMN1; SMN2 (0.51) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM1
SCHEMBL9590406 0.83 MAPK1 (0.50) MAPK1SMN1; SMN2L3MBTL1DRD2KDM1A
SCHEMBL9591624 0.82 SMN1; SMN2 (0.49) MAPK1SMN1; SMN2L3MBTL1OPRL1MEN1
SCHEMBL13921299 0.76 MAPK1 (0.82) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM1
SCHEMBL10409949 0.75 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM1
SCHEMBL11521605 0.75 MAPK1 (0.79) MAPK1SMN1; SMN2L3MBTL1CHRM2CHRM1

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
WO-1998057964-A1 TRICYCLIC COMPOUNDS USEFUL FOR INHIBITION OF G-PROTEIN FUNCTION AND FOR TREATMENT OF PROLIFERATIVE DISEASES SCHERING CORPORATION (US) 1998-12-23 WO disclosed