SCHEMBL9937907

SCHEMBL9937907

O=Cc1ccc(CN2CCN(C(=O)OC3CCCC3)C(C(=O)O)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.46
BCHE P06276 3/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MAOB P27338 1/20 0.40
FAAH O00519 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
TPSAB1 Q15661 3/20 0.36
TPSD1 Q9BZJ3 3/20 0.36
TPSG1 Q9NRR2 3/20 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
SCHEMBL9937901 0.85 BCHE (0.43) AGTR2BCHEDRD2DRD4MAOB
SCHEMBL16459222 0.82 OPRK1 (0.40) BCHEDRD2DRD4MAOB
SCHEMBL375868 0.73 TPSAB1 (0.36) AGTR2PRSS1TPSAB1TPSD1TPSG1
SCHEMBL9937440 0.71 PRSS1 (0.39) AGTR2BCHEF2PRSS1TPSAB1
SCHEMBL14917669 0.70 AGTR2 (0.62) AGTR2BCHE
SCHEMBL28633819 0.69 BCHE (0.48) BCHEDRD2DRD4
SCHEMBL1411328 0.69 KLK7 (0.44) AGTR2BCHEMAOB
SCHEMBL211059 0.68 DRD2 (0.43) AGTR2BCHEDRD2DRD4FAAH
SCHEMBL565036 0.68 AGTR2 (0.60) AGTR2
SCHEMBL1634212 0.68 AGTR2 (0.60) AGTR2

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
EP-2651454-A1 IMAGING AGENTS Chroma Therapeutics Ltd. (GB) 2013-10-23 EP disclosed
WO-2012080705-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2012-06-21 WO disclosed