SCHEMBL9320702

SCHEMBL9320702

COc1cccc(C(CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.62
SLC6A4 P31645 1/20 0.54
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
HTR1A P08908 1/20 0.47
ABCB1 P08183 2/20 0.46

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
SCHEMBL9320870 0.89 SLC6A2 (0.52) SLC6A2SLC6A4MAPTDRD2DRD4
SCHEMBL9320627 0.83 SLC6A2 (0.80) SLC6A2SLC6A4
SCHEMBL9320630 0.82 SLC6A2 (0.64) SLC6A2SLC6A4
SCHEMBL9323580 0.81 SLC6A2 (0.55) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL9320747 0.81 SLC6A2 (0.62) SLC6A2SLC6A4KDM4EALDH1A1DRD4
SCHEMBL9321267 0.80 SLC6A2 (0.61) SLC6A2SLC6A4ALDH1A1DRD4
SCHEMBL9321494 0.79 SLC6A2 (0.60) SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL9320600 0.79 SLC6A2 (0.60) SLC6A2SLC6A4MAPT
SCHEMBL9321556 0.77 SLC6A2 (0.56) SLC6A2SLC6A4KDM4EALDH1A1
SCHEMBL9321532 0.73 SLC6A2 (0.70) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310268-B1 Substituted cycloalkanols AMERICAN HOME PROD (US) 1994-02-02 EP claimed
EP-0310268-A2 Substituted cycloalkanols AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP claimed
EP-0310268-B1 Substituted cycloalkanols AMERICAN HOME PROD (US) 1994-02-02 EP disclosed
US-4826844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US disclosed
EP-0310268-A2 Substituted cycloalkanols AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP disclosed