SCHEMBL8367016

SCHEMBL8367016

CCC(=O)OC1(c2ccc(Cl)c(Cl)c2)CCC(=O)NC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.40
SLC6A3 Q01959 10/20 0.40
SLC6A2 P23975 6/20 0.40
OPRM1 P35372 4/20 0.38
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL6543222 0.73 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2
SCHEMBL7811639 0.69 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2
SCHEMBL6543319 0.69 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL8367017 0.69 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL8564503 0.69 SLC6A3 (0.37) SLC6A4SLC6A3SLC6A2
SCHEMBL6992040 0.67 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2OPRM1BACE1
SCHEMBL7810280 0.67 SLC6A4 (0.47) SLC6A4SLC6A3SLC6A2
SCHEMBL7811794 0.66 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL5901153 0.66 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL27528569 0.66 SLC6A4 (0.43) SLC6A4SLC6A3SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942523-A NOVEL PIPERIDINE DERIVATIVES WHOSE SPECIFIC STRUCTURE INCLUDES AT POSITION 1 AN ALKYL CHAIN HAVING A 3,4-DICHLOROPHENYL GROUP ATTACHED; HIGH SELECTIVITY TO THE NK3 RECEPTOR; UNIT DOSAGE FORM; TREATING PSYCHIATRIC DISEASES SANOFI (FR) 1999-08-24 US disclosed
US-5741910-A PIPERIDINE DERIVATIVE INTERMEDIATES SANOFI (FR) 1998-04-21 US disclosed