SCHEMBL7447472

SCHEMBL7447472

CC(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c(=O)c(N(C)CCN(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.48
DRD3 P35462 5/20 0.48
KCNH2 Q12809 4/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
DRD2 P14416 3/20 0.48
CYP3A4 P08684 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
CNR1 P21554 2/20 0.48
OPRK1 P41145 2/20 0.48
GHSR Q92847 2/20 0.48
CHRM2 P08172 2/20 0.48
ADRA2A P08913 2/20 0.48
CHRM1 P11229 2/20 0.48
DRD1 P21728 2/20 0.48
ADRA1A P35348 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
USP2 O75604 2/20 0.48

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
SCHEMBL7442593 0.95 MEN1 (0.43) HRH1DRD3KCNH2SLC6A2SLC6A4
SCHEMBL7450558 0.90 OPRM1 (0.38) HRH1DRD3KCNH2SLC6A2SLC6A4
SCHEMBL8805485 0.89 CACNA2D1 (0.42) HRH1KCNH2ADORA3CNR1OPRK1
SCHEMBL7437175 0.87 ACHE (0.46) HRH1DRD3KCNH2SLC6A2SLC6A3
SCHEMBL7434590 0.84 ACHE (0.43) HRH1DRD3KCNH2SLC6A2SLC6A3
SCHEMBL7442856 0.82 HRH1 (0.53) HRH1DRD3KCNH2SLC6A2SLC6A4
SCHEMBL7443871 0.80 KCNH2 (0.52) HRH1DRD3KCNH2SLC6A2SLC6A4
SCHEMBL7496645 0.80 MEN1 (0.44) HRH1DRD3KCNH2SLC6A2SLC6A4
SCHEMBL7444396 0.79 ACHE (0.46) HRH1DRD3KCNH2SLC6A2SLC6A3
SCHEMBL7921879 0.79 MEN1 (0.41) HRH1DRD3KCNH2SLC6A2SLC6A4

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-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