SCHEMBL7438149

SCHEMBL7438149

CC(C)c1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(=O)c(NCCNc2ccccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
LMNA P02545 2/20 0.43
DRD2 P14416 2/20 0.43
ADRA1A P35348 2/20 0.43
DRD3 P35462 2/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
HTT P42858 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL7442395 0.91 LMNA (0.46) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL7431037 0.89 HTR2C (0.43) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL7444995 0.87 KCNH2 (0.41) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL7444990 0.86 LMNA (0.48) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL7433913 0.84 ADRA1A (0.46) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL195024 0.84 LMNA (0.48) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL7442393 0.84 LMNA (0.48) KCNH2LMNADRD2ADRA1ADRD3
Hydrochloric Acid SCHEMBL7921655 0.83 LMNA (0.48) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL7448375 0.82 LMNA (0.47) KCNH2LMNADRD2ADRA1ADRD3
SCHEMBL7440435 0.82 LMNA (0.52) KCNH2LMNADRD2ADRA1ADRD3

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