SCHEMBL8109656

SCHEMBL8109656

Fc1ccc2[nH]cc(C3CCN(N4CCCCC4)CC3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.68
OPRK1 P41145 3/20 0.68
OPRL1 P41146 3/20 0.68
SLC6A4 P31645 8/20 0.65
HSD11B1 P28845 3/20 0.61
ADRA1D P25100 2/20 0.58
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
DRD1 P21728 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR1B P28222 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
DRD2 P14416 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
SCHEMBL8103996 0.86 OPRM1 (0.74) OPRM1OPRK1OPRL1SLC6A4HSD11B1
SCHEMBL8103994 0.86 OPRM1 (0.64) OPRM1OPRK1OPRL1SLC6A4HSD11B1
SCHEMBL8096608 0.84 HTR1D (0.53) OPRM1OPRK1OPRL1SLC6A4ADRA1D
SCHEMBL8103916 0.84 CYP1A2 (0.71) OPRM1OPRK1OPRL1SLC6A4HSD11B1
SCHEMBL8109749 0.84 OPRM1 (0.62) OPRM1OPRK1OPRL1SLC6A4ADRA1D
SCHEMBL4673535 0.84 OPRM1 (0.56) OPRM1OPRK1OPRL1SLC6A4HSD11B1
SCHEMBL4673580 0.83 HTR1B (0.71) OPRM1OPRK1OPRL1SLC6A4HTR1A
Hydrochloric Acid SCHEMBL7255624 0.83 ADRA1D (0.83) OPRM1OPRK1OPRL1SLC6A4ADRA1D
SCHEMBL14280674 0.81 OPRL1 (1.00) OPRM1OPRK1OPRL1SLC6A4HSD11B1
SCHEMBL8103895 0.81 SLC6A4 (0.69) SLC6A4HTR1AHTR2ADRD1SLC6A2

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