SCHEMBL9028840

SCHEMBL9028840

O=C(O)c1cn(CC2CC2)c2ccccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
KDM4E B2RXH2 1/20 0.56
CNR1 P21554 4/20 0.55
CHRM1 P11229 4/20 0.54
CNR2 P34972 2/20 0.53

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
SCHEMBL30421188 1.00 LMNA (0.64) LMNAKDM4ECNR1CHRM1CNR2
SCHEMBL29576532 0.91 CNR1 (0.66) LMNAKDM4ECNR1CNR2
SCHEMBL21176865 0.91 CNR1 (0.66) LMNAKDM4ECNR1CNR2
SCHEMBL7291968 0.90 CNR1 (0.62) LMNACNR1CNR2
SCHEMBL24437217 0.84 CNR1 (0.66) CNR1CNR2
SCHEMBL3105128 0.83 CNR1 (0.72) KDM4ECNR1CNR2
SCHEMBL4142276 0.82 KDM4E (0.47) LMNAKDM4ECNR1CNR2
SCHEMBL7291403 0.81 CNR1 (0.60) CNR1CNR2
SCHEMBL7914466 0.81 LMNA (0.73) LMNAKDM4ECHRM1CNR2
SCHEMBL22416268 0.80 CNR1 (0.74) CNR1CNR2

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-0494978-B1 HETEROCYCLIC COMPOUNDS WYETH JOHN & BROTHER LTD (GB) 1996-02-28 EP disclosed
US-5362734-A Certain benzo-quinolizine compounds and derivatives thereof AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 US disclosed
US-5225419-A Antagonist 5-hydroxytryptamine for treatment of nausea or vomiting JOHN WYETH & BROTHER, LIMITED (GB) 1993-07-06 US disclosed
US-5096901-A PHARMACOLOGICALLY ACTIVE AMIDES AND ESTERS CONTAINING AN AZABICYCLOALKANE MOIETY JOHN WYETH & BROTHER LIMITED (GB) 1992-03-17 US disclosed