SCHEMBL9230751

SCHEMBL9230751

Cc1ccc(N2CCNCC2)c2oc(=O)c(CC(N)=O)cc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
BACE1 P56817 4/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ADRB1 P08588 2/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL9229909 0.83 KMT2A (0.48) BACE1
SCHEMBL9225639 0.81 BACE1 (0.43) HTR6BACE1HTR3EHTR3BHTR3A
SCHEMBL27434832 0.77 ALDH1A1 (0.42) HTR6BACE1
SCHEMBL23256392 0.71 ADRB1 (0.56) HTR6HTR3EHTR3BHTR3AHTR3D
SCHEMBL9229904 0.66 ADRB1 (0.51) HTR6BACE1HTR3EHTR3BHTR3A
SCHEMBL9231899 0.66 HTR2A (0.48) HTR6BACE1HTR3EHTR3BHTR3A
SCHEMBL9227346 0.66 DRD2 (0.48) BACE1
Hydrochloric Acid SCHEMBL9229290 0.65 ADRB1 (0.50) HTR6BACE1HTR3EHTR3BHTR3A
SCHEMBL9229883 0.65 PRKDC (0.52) HTR6PDE3BPDE3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL9230090 0.65 DRD2 (0.47) BACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650964-A1 1 2H-1-benzopyran-2-one-8-yl -piperazine derivatives DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-05-03 EP disclosed