SCHEMBL7440957

SCHEMBL7440957

COc1ccc(C(c2ccc(Cl)cc2)N2CCN(Cc3ccc(C(C)C)cc(OC)c3=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.47
CNR1 P21554 3/20 0.47
HRH1 P35367 3/20 0.47
OPRK1 P41145 3/20 0.47
KCNH2 Q12809 3/20 0.47
GHSR Q92847 3/20 0.47
LMNA P02545 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA2C P18825 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2A P28223 2/20 0.47
ADRA1A P35348 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRA2B P18089 1/20 0.47
HTR2C P28335 1/20 0.47

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
SCHEMBL7443871 0.92 KCNH2 (0.52) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL7436780 0.86 TACR1 (0.53) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL7444222 0.85 LMNA (0.64) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL7450558 0.84 OPRM1 (0.38) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL7448627 0.83 LMNA (0.50) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL7927267 0.82 MAPT (0.49) LMNAHTTTSHRUSP2DRD4
SCHEMBL7448753 0.82 DRD2 (0.62) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL195121 0.82 LMNA (0.60) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL7430905 0.81 KCNH2 (0.51) ADORA3CNR1HRH1OPRK1KCNH2
SCHEMBL7445028 0.80 KDM4E (0.56) ADORA3CNR1HRH1OPRK1KCNH2

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 6 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
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