SCHEMBL8669709

SCHEMBL8669709

O=C(CCCN1CCCCC1C(=O)c1ccc(F)cc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
HTR2A P28223 3/20 0.54
DRD4 P21917 5/20 0.51
HTR1A P08908 3/20 0.51
DRD3 P35462 2/20 0.51
HRH1 P35367 2/20 0.51
MEN1 O00255 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
DRD1 P21728 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR2C P28335 1/20 0.51
SLC18A3 Q16572 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL5172227 0.84 KDM4E (0.64) HTR2AKDM4E
Hydrochloric Acid SCHEMBL11363812 0.84 ALDH1A1 (0.43) ADRA1AKMT2A
SCHEMBL7410657 0.83 PTGER4 (0.54) HRH3KDM4E
SCHEMBL7766535 0.80 ADRA1D (0.51) DRD2HTR2AHTR1ADRD3HRH1
SCHEMBL10587794 0.80 ALDH1A1 (0.46) DRD2HTR2AMEN1KMT2AKCNH2
Hydrochloric Acid SCHEMBL8667301 0.80 SLC6A4 (0.47) DRD2MEN1ADRA1AKMT2AKCNH2
SCHEMBL11371374 0.80 DRD2 (0.54) DRD2HTR2ADRD4HTR1ADRD3
SCHEMBL7407665 0.80 HRH3 (0.51) HRH3KDM4E
Hydrochloric Acid SCHEMBL28203039 0.78 KCNK3 (0.51) HTR2AKCNH2HTR2C
SCHEMBL6103069 0.78 ALDH1A1 (0.52) DRD2HTR2AHTR1ADRD3HRH1

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