SCHEMBL8669714

SCHEMBL8669714

O=C(CCC(C(=O)c1ccccc1)N1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.67
SLC6A3 Q01959 12/20 0.64
SLC6A2 P23975 10/20 0.64
SLC6A4 P31645 7/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
HTR1A P08908 1/20 0.46

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
SCHEMBL8668130 0.79 RAB9A (0.46) RAB9ASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL4938098 0.79 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8667307 0.78 RAB9A (0.45) RAB9ASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL27098440 0.76 SLC6A3 (0.69) RAB9ASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL27098435 0.76 SLC6A3 (0.69) RAB9ASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL4936204 0.76 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL9037624 0.75 SLC6A3 (0.68) RAB9ASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL5505886 0.75 HTR1A (0.69) RAB9ASLC6A3SLC6A4ALDH1A1KMT2A
SCHEMBL2552830 0.75 SLC6A3 (0.68) RAB9ASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL27098434 0.75 SLC6A3 (0.81) SLC6A3SLC6A2SLC6A4

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
US-5770740-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-23 US disclosed
US-5696142-A TREATING DEPRESSION, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US disclosed
US-5686447-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686483-A TREATING DEPRESSION AND OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5686446-A ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5684021-A Aminoalkyloximes for treating depression and affective disorders HOECHST MARION ROUSSEL, INC. (US) 1997-11-04 US disclosed