SCHEMBL8103889

SCHEMBL8103889

Clc1ccc2c(C3CC[N][C@H](N4CCCCC4)C3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.51
ADRA1D P25100 5/20 0.40
IDO1 P14902 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
AVPR1A P37288 1/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL8149530 0.91 SLC6A4 (0.51) SLC6A4IDO1OPRM1OPRK1OPRL1
SCHEMBL8109654 0.80 SLC6A4 (0.68) SLC6A4ADRA1DOPRM1OPRK1OPRL1
SCHEMBL8096606 0.80 SLC6A4 (0.50) SLC6A4IDO1HTR1A
SCHEMBL8103912 0.80 CYP1A2 (0.54) SLC6A4ADRA1DOPRM1OPRK1OPRL1
SCHEMBL8103890 0.78 SLC6A4 (0.53) SLC6A4ADRA1DIDO1OPRM1OPRK1
SCHEMBL8105710 0.78 MTNR1A (0.53) SLC6A4HTR1A
SCHEMBL8103893 0.78 SLC6A4 (0.72) SLC6A4HTR1A
SCHEMBL4675206 0.75 SLC6A4 (0.58) SLC6A4IDO1OPRM1OPRK1OPRL1
SCHEMBL4672939 0.73 OPRM1 (0.50) SLC6A4ADRA1DOPRM1OPRK1OPRL1
SCHEMBL8106283 0.73 ALDH1A1 (0.47) SLC6A4IDO1HTR1A

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-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed