SCHEMBL8109749

SCHEMBL8109749

Clc1ccc2[nH]cc(C3CCN(N4CCCCC4)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.62
OPRK1 P41145 2/20 0.62
OPRL1 P41146 2/20 0.62
SLC6A4 P31645 3/20 0.53
HTR1A P08908 1/20 0.51
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
ADRA1D P25100 3/20 0.47
IDO1 P14902 2/20 0.46

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
SCHEMBL8103890 0.89 SLC6A4 (0.53) OPRM1OPRK1OPRL1SLC6A4ADRA1D
SCHEMBL18474132 0.86 SLC6A4 (0.60) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8103916 0.84 CYP1A2 (0.71) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8109656 0.84 OPRM1 (0.68) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8096608 0.84 HTR1D (0.53) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL4674422 0.83 HTR1D (0.71) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8103895 0.81 SLC6A4 (0.69) SLC6A4HTR1AHTR1B
SCHEMBL4769253 0.79 OPRM1 (0.63) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL2781047 0.79 HTR2C (0.62) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8149530 0.78 SLC6A4 (0.51) OPRM1OPRK1OPRL1SLC6A4HTR1A

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