SCHEMBL8669710

SCHEMBL8669710

CCC(C(=O)c1ccccc1)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.58
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTR2A P28223 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL10811114 0.82 SLC6A3 (0.59) SLC6A2SLC6A3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4313458 0.79 HSP90AA1 (0.59) SLC6A2SLC6A3RAB9A
SCHEMBL11480981 0.79 HSD11B1 (0.56) HSD11B1ALDH1A1SMN1; SMN2LMNAKDM4E
Hydrochloric Acid SCHEMBL8667303 0.79 HSD11B1 (0.46) HSD11B1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL11743207 0.77 SLC6A3 (0.53) SLC6A2SLC6A3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11440661 0.77 SMN1; SMN2 (0.51) HSD11B1ALDH1A1SMN1; SMN2LMNACYP2D6
SCHEMBL7408128 0.76 HSD11B1 (0.63) HSD11B1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4939421 0.76 SLC6A3 (0.77) SLC6A2SLC6A3RAB9A
SCHEMBL3426081 0.76 SLC6A3 (0.60) SLC6A2SLC6A3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9377800 0.76 HSD11B1 (0.57) HSD11B1ALDH1A1SMN1; SMN2LMNAKDM4E

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