SCHEMBL10073428

SCHEMBL10073428

CC(=O)O[C@H](C)C1=CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.44
TSHR P16473 2/20 0.41
SLC6A1 P30531 1/20 0.41
SLC6A13 Q9NSD5 1/20 0.41
BLM P54132 1/20 0.40
PNMT P11086 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
SCHEMBL28550702 0.74 TSHR (0.37) TSHR
SCHEMBL10073430 0.72
SCHEMBL12728724 0.72
SCHEMBL27563816 0.68 CHRM3 (0.49) CHRM3TSHRSLC6A1SLC6A13BLM
SCHEMBL9499237 0.65
SCHEMBL20314870 0.65 TSHR (0.60) CHRM3TSHRSLC6A1SLC6A13BLM
SCHEMBL6665184 0.64 CHRM3 (0.45) CHRM3TSHRSLC6A1SLC6A13BLM
SCHEMBL7910143 0.62 PTPN1 (0.35)
SCHEMBL3233925 0.62 TSHR (0.35) TSHR
Bromide SCHEMBL9629760 0.61 CHRM3 (0.53) CHRM3TSHRSLC6A1SLC6A13BLM

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
WO-2012088402-A1 SYNTHESIS OF CONOLIDINE AND DISCOVERY OF A POTENT NON-OPIOID ANALGESIC FOR PAIN THE SCRIPPS RESEARCH INSTITUTE (US) 2012-06-28 WO disclosed