SCHEMBL6007693

SCHEMBL6007693

N#C[C@@]12CC1CN(CCc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
ACHE P22303 1/20 0.42
CCR3 P51677 1/20 0.41
KCNH2 Q12809 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6007699 1.00 SMN1; SMN2 (0.46) SMN1; SMN2SLC6A3SIGMAR1ACHECCR3
SCHEMBL9179426 0.87 OPRM1 (0.46) SIGMAR1
SCHEMBL7497626 0.76 SMN1; SMN2 (0.41) SMN1; SMN2SLC6A3SIGMAR1ACHECCR3
SCHEMBL9187010 0.75 OPRM1 (0.54) SIGMAR1
SCHEMBL11461429 0.75 SLC6A3 (0.45) SLC6A3SIGMAR1ACHEKCNH2DRD2
SCHEMBL7510207 0.73 SLC6A3 (0.44) SLC6A3SIGMAR1ACHECCR3DRD2
Hydrochloric Acid SCHEMBL11087688 0.73 SLC6A3 (0.44) SLC6A3SIGMAR1ACHEKCNH2DRD2
SCHEMBL6007978 0.72 GRM2 (0.47) SLC6A3SIGMAR1ACHEKCNH2
SCHEMBL6007973 0.72 GRM2 (0.47) SLC6A3SIGMAR1ACHEKCNH2
SCHEMBL8924879 0.70 OPRM1 (0.41) SIGMAR1DRD2DRD3

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-0924213-B1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2006-06-28 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-6191129-B1 MICROBIOCIDES, BACTERICIDES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-02-20 US disclosed
EP-0924213-A1 PYRIDOBENZOXAZINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-06-23 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed