SCHEMBL9320870

SCHEMBL9320870

COc1ccc(C(CCN2CCN(c3ncccn3)CC2)C2(O)CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.52
SLC6A4 P31645 6/20 0.50
SLC6A3 Q01959 4/20 0.50
LMNA P02545 1/20 0.50
CNR1 P21554 1/20 0.50
HTR2A P28223 1/20 0.50
HRH1 P35367 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
HTR1A P08908 3/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 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
SCHEMBL9320702 0.89 SLC6A2 (0.62) SLC6A2SLC6A4HTR1AMAPTDRD2
SCHEMBL9322364 0.81 SIGMAR1 (0.54) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9321526 0.81 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320726 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320862 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9321556 0.79 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320636 0.77 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9320678 0.76 SIGMAR1 (0.53) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9321472 0.75 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL9321455 0.75 SLC6A2 (0.50) 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
EP-0310268-B1 Substituted cycloalkanols AMERICAN HOME PROD (US) 1994-02-02 EP disclosed
EP-0310268-A2 Substituted cycloalkanols AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP disclosed