SCHEMBL7698668

SCHEMBL7698668

NC[C@H]1CC(c2ccc(I)cc2)C(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CTRC Q99895 1/20 0.30
F2 P00734 1/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30

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
SCHEMBL7124429 1.00 DRD1 (0.32) DRD1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7126456 0.84 CYP3A4 (0.34) CTRCF2PLGPLAUPLAT
SCHEMBL7121195 0.84 CYP3A4 (0.34) CTRCF2PLGPLAUPLAT
SCHEMBL7508213 0.76 MTNR1A (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL7121703 0.76 MTNR1A (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL7127061 0.76 ALDH1A1 (0.31)
SCHEMBL7619728 0.71 CYP3A4 (0.37) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL576223 0.69 THRB (0.40)
SCHEMBL8656840 0.67 MAOB (0.43)
SCHEMBL8658724 0.67 MAOB (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350775-B1 AGAINST GRAMPOSITIVE BACTERIA ZENECA LIMITED (GB) 2002-02-26 US disclosed