SCHEMBL9323580

SCHEMBL9323580

COc1cccc(C(CCN2CCN(c3cncc(Cl)n3)CC2)C2(O)CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.55
SLC6A4 P31645 3/20 0.48
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
SLC6A3 Q01959 6/20 0.44

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
SCHEMBL4979557 0.91 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3
SCHEMBL9320726 0.90 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL9320702 0.81 SLC6A2 (0.62) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL9320747 0.79 SLC6A2 (0.62) SLC6A2SLC6A4DRD4SLC6A3
SCHEMBL5597255 0.79 SLC6A2 (0.40) SLC6A2SLC6A4DRD2DRD4OPRM1
SCHEMBL9320630 0.79 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL9320600 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL9320627 0.78 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3
SCHEMBL10682403 0.75 DRD4 (0.42) DRD2DRD4
SCHEMBL9321267 0.75 SLC6A2 (0.61) SLC6A2SLC6A4DRD4SLC6A3

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
US-4826844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US 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