SCHEMBL7445855

SCHEMBL7445855

CC(C)c1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CHRM2 P08172 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
CHRM1 P11229 2/20 0.49
DRD2 P14416 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CNR1 P21554 2/20 0.49
SLC6A2 P23975 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
ADRA1A P35348 2/20 0.49
HRH1 P35367 2/20 0.49
OPRM1 P35372 2/20 0.49
DRD3 P35462 2/20 0.49
HTR2B P41595 2/20 0.49
CACNA1B Q00975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNH2 Q12809 2/20 0.49
OPRK1 P41145 1/20 0.49

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
SCHEMBL7924041 0.94 ATM (0.47) LMNACHRM2ADORA3CHRM1DRD2
SCHEMBL7915276 0.89 LMNA (0.53) LMNASLC6A2SLC6A3MEN1KMT2A
SCHEMBL7430955 0.87 LMNA (0.53) LMNACHRM2ADORA3CHRM1DRD2
SCHEMBL7927130 0.87 MEN1 (0.54) LMNADRD2DRD3MEN1KMT2A
SCHEMBL7440682 0.87 LMNA (0.51) LMNACHRM2ADORA3CHRM1DRD2
SCHEMBL7444222 0.85 LMNA (0.64) LMNACHRM2ADORA3CHRM1DRD2
SCHEMBL7436875 0.85 KCNH2 (0.42) LMNACHRM2ADORA3CHRM1DRD2
SCHEMBL7430852 0.85 LMNA (0.51) LMNACHRM2ADORA3CHRM1DRD2
SCHEMBL7915427 0.84 NPSR1 (0.47) LMNACHRM2ADORA3CHRM1DRD2
SCHEMBL7927261 0.83 LMNA (0.48) LMNADRD2SLC6A2DRD3SLC6A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP claimed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 EP claimed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 WO claimed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 EP disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 WO disclosed