SCHEMBL8967153

SCHEMBL8967153

CC(/C=C/[C@]1(Cl)CC1c1ccc(Cl)c(Cl)c1)=C\C(=O)N(CC(C)C)Sc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
TACR3 P29371 8/20 0.31
TACR2 P21452 1/20 0.31
TACR1 P25103 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL9400367 0.89 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3TACR3IDO1
SCHEMBL8967117 0.89 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3TACR3IDO1
SCHEMBL8967137 0.82 SLC6A2 (0.30) SLC6A4SLC6A2SLC6A3TACR3
SCHEMBL8967163 0.82 SLC6A3 (0.36) SLC6A4SLC6A2SLC6A3IDO1
SCHEMBL8967154 0.82 SLC6A3 (0.36) SLC6A4SLC6A2SLC6A3IDO1
SCHEMBL8967131 0.80 SLC6A2 (0.31) SLC6A4SLC6A2
SCHEMBL8967355 0.79 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL8967676 0.79
SCHEMBL8967123 0.79 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL9452367 0.79 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3

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-0553081-B1 PESTICIDES ROUSSEL UCLAF (FR) 1996-02-28 EP claimed
EP-0553081-B1 PESTICIDES ROUSSEL UCLAF (FR) 1996-02-28 EP disclosed
US-5326755-A Contain cyclopropane ring ROUSSEL UCLAF 1994-07-05 US disclosed
EP-0553081-A1 PESTICIDES. ROUSSEL UCLAF (FR) 1993-08-04 EP disclosed
WO-1991016301-A1 PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-31 WO disclosed