SCHEMBL8690463

SCHEMBL8690463

COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 1/20 0.51
BCHE P06276 4/20 0.47
ACHE P22303 3/20 0.47
BACE1 P56817 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8690461 1.00 SLC6A12 (0.51) SLC6A12BCHEACHEBACE1SIGMAR1
SCHEMBL8317312 0.91 SLC6A12 (0.50) SLC6A12BCHEACHEBACE1SIGMAR1
SCHEMBL8317313 0.91 SLC6A12 (0.50) SLC6A12BCHEACHEBACE1SIGMAR1
SCHEMBL8686278 0.91 MEN1 (0.52) SLC6A12SIGMAR1MEN1KMT2AMAPT
SCHEMBL8686279 0.91 MEN1 (0.52) SLC6A12SIGMAR1MEN1KMT2AMAPT
SCHEMBL8686324 0.89 DRD2 (0.43) SLC6A12SIGMAR1DRD2DRD3
SCHEMBL8686321 0.89 DRD2 (0.43) SLC6A12SIGMAR1DRD2DRD3
SCHEMBL8685473 0.86 SLC6A12 (0.47) SLC6A12SIGMAR1MAPTALDH1A1
SCHEMBL8685468 0.86 SLC6A12 (0.47) SLC6A12SIGMAR1MAPTALDH1A1
SCHEMBL8685450 0.86 SLC6A12 (0.47) SLC6A12SIGMAR1MAPTALDH1A1

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
US-5723484-A Benzopyran compounds as 5-HT2C receptor antagonists ADIR ET COMPAGNIE (FR) 1998-03-03 US disclosed