SCHEMBL9322364

SCHEMBL9322364

COc1ccc(C(CCN2CCN(Cc3ccccc3)CC2)C2(O)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
SLC6A2 P23975 7/20 0.53
SLC6A4 P31645 5/20 0.52
SLC6A3 Q01959 4/20 0.52
LMNA P02545 1/20 0.52
CNR1 P21554 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
FAAH O00519 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL9320678 0.95 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL9321556 0.91 SLC6A2 (0.56) SIGMAR1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL9320636 0.90 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320630 0.89 SLC6A2 (0.64) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL9321455 0.87 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320862 0.87 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320703 0.86 SLC6A2 (0.53) SLC6A2SLC6A4LMNA
SCHEMBL9321526 0.82 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320600 0.81 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL9320870 0.81 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3LMNACNR1

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
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
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