SCHEMBL8506801

SCHEMBL8506801

C=CCC1(CC=NO)c2ccccc2CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.31
PGR P06401 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL8506797 1.00 SIGMAR1 (0.36) SIGMAR1MAPK1SMN1; SMN2LMNACHRM2
SCHEMBL8507270 0.80 PGR (0.38) SIGMAR1LMNACHRM2HTR2APGR
SCHEMBL7936583 0.76 CHRM2 (0.40) SIGMAR1LMNACHRM2HTR2APGR
SCHEMBL10952661 0.74 LMNA (0.49) SIGMAR1MAPK1SMN1; SMN2LMNACHRM2
SCHEMBL8506823 0.72 SLC6A2 (0.40) SIGMAR1MAPK1SMN1; SMN2LMNACHRM2
SCHEMBL15908335 0.68 LMNA (0.54) SIGMAR1MAPK1SMN1; SMN2LMNACHRM2
SCHEMBL19130507 0.68 SIGMAR1 (0.41) SIGMAR1MAPK1SMN1; SMN2LMNAHTR2A
SCHEMBL8506381 0.68 SIGMAR1 (0.38) SIGMAR1MAPK1SMN1; SMN2LMNACHRM2
SCHEMBL29501701 0.67 SIGMAR1 (0.43) SIGMAR1HTR2A
SCHEMBL30511096 0.67 PGR (0.49) SMN1; SMN2LMNAPGRMEN1

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-0733035-B1 TRICYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORP (US) 1999-03-31 EP disclosed
EP-0733035-A1 TRICYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1996-09-25 EP disclosed
US-5538986-A INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA, DIBENZOCYCLOHEPTANE AND DIBENZOXEPINE DERIVATIVES SCHERING CORPORATION (US) 1996-07-23 US disclosed
WO-1995015939-A1 TRICYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1995-06-15 WO disclosed