SCHEMBL7448609

SCHEMBL7448609

CN(C)CCN(C)c1ccccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ATM Q13315 3/20 0.47
ACHE P22303 6/20 0.46
LMNA P02545 4/20 0.46
OPRM1 P35372 3/20 0.46
CHRM2 P08172 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD2 P14416 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CNR1 P21554 2/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
ADRA1A P35348 2/20 0.46
HRH1 P35367 2/20 0.46
DRD3 P35462 2/20 0.46
HTR2B P41595 2/20 0.46

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
SCHEMBL7496645 0.88 MEN1 (0.44) MEN1KMT2AATMACHELMNA
SCHEMBL7437175 0.87 ACHE (0.46) MEN1KMT2AATMACHELMNA
SCHEMBL7434590 0.84 ACHE (0.43) MEN1KMT2AATMACHELMNA
SCHEMBL7442593 0.82 MEN1 (0.43) MEN1KMT2AATMLMNAOPRM1
SCHEMBL7444396 0.79 ACHE (0.46) MEN1KMT2AATMACHELMNA
SCHEMBL7436788 0.79 ACHE (0.44) MEN1KMT2AATMACHELMNA
SCHEMBL7447472 0.78 HRH1 (0.48) MEN1KMT2AATMLMNAOPRM1
SCHEMBL8805485 0.78 CACNA2D1 (0.42) MEN1KMT2AATMLMNAOPRM1
SCHEMBL6554692 0.75 MEN1 (0.59) MEN1KMT2AATMACHELMNA
SCHEMBL24988725 0.73 ACHE (0.47) MEN1KMT2AATMACHELMNA

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