SCHEMBL7809995

SCHEMBL7809995

CCCC1(C2CCN(C)CC2)c2ccccc2CCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM1A O60341 1/20 0.42
SIGMAR1 Q99720 10/20 0.42
EBP Q15125 1/20 0.40
CHRM2 P08172 2/20 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
ADRA2A P08913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL21130837 0.70 SIGMAR1 (0.47) MAPK1SMN1; SMN2SIGMAR1EBPCHRM2
SCHEMBL14430488 0.70 MAPK1 (0.58) MAPK1SMN1; SMN2KDM1ASIGMAR1EBP
SCHEMBL7811146 0.68 MAPK1 (0.40) MAPK1SMN1; SMN2SIGMAR1EBPCHRM2
SCHEMBL5200044 0.68 MAPK1 (0.64) MAPK1SMN1; SMN2KDM1ASIGMAR1CHRM2
SCHEMBL14430497 0.68 MAPK1 (0.56) MAPK1SMN1; SMN2KDM1ASIGMAR1L3MBTL1
SCHEMBL19505650 0.67 LMNA (0.63) MAPK1SMN1; SMN2KDM1ASIGMAR1EBP
SCHEMBL9044216 0.67 MAPK1 (0.69) MAPK1SMN1; SMN2KDM1ASIGMAR1CHRM2
SCHEMBL10409949 0.67 MAPK1 (0.79) MAPK1SMN1; SMN2KDM1ACHRM2CHRM4
SCHEMBL11521605 0.67 MAPK1 (0.79) MAPK1SMN1; SMN2KDM1ACHRM2CHRM4
SCHEMBL8709456 0.66 MAPK1 (0.72) MAPK1SMN1; SMN2KDM1ACHRM2CHRM4

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-0733043-B1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORP (US) 2001-06-20 EP disclosed
EP-0733043-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1996-09-25 EP disclosed
US-5464840-A Pharmaceuticals to inhibit tumor necrosis factor-alpha and to treat septic shock, inflammation and allergic disease SCHERING CORPORATION (US) 1995-11-07 US disclosed
WO-1995015949-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1995-06-15 WO disclosed