SCHEMBL9320747

SCHEMBL9320747

COc1cccc(C(CCN2CCN(Cc3ccc(Cl)cc3)CC2)C2(O)CCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.62
SLC6A4 P31645 3/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A3 Q01959 6/20 0.52
DRD4 P21917 1/20 0.48

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
SCHEMBL9320600 0.93 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL9320630 0.92 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3
SCHEMBL9321494 0.87 SLC6A2 (0.60) SLC6A2SLC6A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL9321556 0.84 SLC6A2 (0.56) SLC6A2SLC6A4KDM4EALDH1A1SLC6A3
SCHEMBL9321267 0.84 SLC6A2 (0.61) SLC6A2SLC6A4ALDH1A1SLC6A3DRD4
SCHEMBL9320636 0.84 SLC6A2 (0.51) SLC6A2SLC6A4ALDH1A1SLC6A3
SCHEMBL9320627 0.83 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3
SCHEMBL9321165 0.83 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL4885001 0.82 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL9322364 0.81 SIGMAR1 (0.54) SLC6A2SLC6A4SLC6A3

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