SCHEMBL9320636

SCHEMBL9320636

COc1ccc(C(CCN2CCN(Cc3cccc(Cl)c3)CC2)C2(O)CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.51
SLC6A3 Q01959 10/20 0.51
SLC6A4 P31645 6/20 0.51
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR1 P21554 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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 0.92 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4TSHRMAPT
SCHEMBL9321556 0.91 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4LMNAALDH1A1
SCHEMBL9322364 0.90 SIGMAR1 (0.54) SLC6A2SLC6A3SLC6A4LMNACNR1
SCHEMBL9320703 0.86 SLC6A2 (0.53) SLC6A2SLC6A4LMNAALDH1A1
SCHEMBL9320678 0.85 SIGMAR1 (0.53) SLC6A2SLC6A3SLC6A4LMNACNR1
SCHEMBL9320747 0.84 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4ALDH1A1
SCHEMBL9320630 0.83 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4
SCHEMBL9321165 0.82 SLC6A2 (0.70) SLC6A2SLC6A3SLC6A4
SCHEMBL9321455 0.82 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4LMNAMEN1
SCHEMBL9321494 0.80 SLC6A2 (0.60) SLC6A2SLC6A4ALDH1A1MEN1KMT2A

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
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-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