SCHEMBL9356325

SCHEMBL9356325

NC(=O)C1CC(C(N)=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
KCNH2 Q12809 14/20 0.47
OPRK1 P41145 11/20 0.47
OPRM1 P35372 6/20 0.47
OPRD1 P41143 3/20 0.47
SIRT1 Q96EB6 1/20 0.47
GRM6 O15303 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9356317 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL9352596 0.87 FKBP1A (0.49) KCNH2OPRK1SPHK1
SCHEMBL9352606 0.87 FKBP1A (0.49) KCNH2OPRK1SPHK1
SCHEMBL9352588 0.87 FKBP1A (0.49) KCNH2OPRK1SPHK1
SCHEMBL6685344 0.87 MAPT (0.44) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL3162914 0.85 CYP3A4 (0.46) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL8301823 0.85 CYP3A4 (0.46) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL9356296 0.85 CHRM2 (0.50) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL9352549 0.85 CHRM2 (0.50) CHRM2CHRM4CHRM5KCNH2OPRK1
SCHEMBL28842221 0.85 KCNH2 (0.47) KCNH2OPRK1OPRM1OPRD1SIRT1

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-0299513-B1 Azetidine derivatives, compositions and their use FIDIA GEORGETOWN INST (US) 1994-10-05 EP disclosed
US-4990504-A Modulate excitatory amino acid receptor system FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1991-02-05 US disclosed
US-4946839-A ALZHEIMER'S DISEASE FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1990-08-07 US disclosed
EP-0299513-A1 Azetidine derivatives, compositions and their use FIDIA-GEORGETOWN INSTITUTE FOR THE NEUROSCIENCES (US) 1989-01-18 EP disclosed