SCHEMBL7811146

SCHEMBL7811146

CCCC1(C2=CCN(C)CC2)c2ccccc2CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 10/20 0.39
EBP Q15125 1/20 0.38
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 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
SCHEMBL7809704 0.82 MAPK1 (0.38) MAPK1SMN1; SMN2SIGMAR1CHRM2ADRA2A
SCHEMBL21130837 0.70 SIGMAR1 (0.47) MAPK1SMN1; SMN2SIGMAR1EBPCHRM2
SCHEMBL22179399 0.68 SIGMAR1 (0.33) SIGMAR1
SCHEMBL7809995 0.68 MAPK1 (0.60) MAPK1SMN1; SMN2SIGMAR1EBPCHRM2
SCHEMBL7782464 0.65 ESR2 (0.48) SIGMAR1EBPMAOB
SCHEMBL19505650 0.65 LMNA (0.63) MAPK1SMN1; SMN2SIGMAR1EBPCHRM2
SCHEMBL7817126 0.64 NOTUM (0.40) MAPK1SMN1; SMN2SIGMAR1
Ammonia Solution, Strong SCHEMBL27550700 0.63 ESR2 (0.47) SIGMAR1EBPMAOB
SCHEMBL7813352 0.63 SIGMAR1 (0.44) MAPK1SIGMAR1DRD2DRD4DRD3
SCHEMBL8506366 0.62 HTR2A (0.46) MAPK1SMN1; SMN2SIGMAR1EBPCHRM2

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