SCHEMBL9937901

SCHEMBL9937901

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
MAOB P27338 2/20 0.40
AGTR2 P50052 1/20 0.39
FAAH O00519 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL16459222 0.86 OPRK1 (0.40) BCHEDRD2DRD4MAOB
SCHEMBL9937907 0.85 AGTR2 (0.46) BCHEDRD2DRD4MAOBAGTR2
SCHEMBL9937434 0.73 CHRM2 (0.37) BCHEAGTR2CHRM2CHRM4CHRM5
SCHEMBL375867 0.73 CHRM3 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL211059 0.73 DRD2 (0.43) BCHEDRD2DRD4AGTR2FAAH
SCHEMBL1411328 0.73 KLK7 (0.44) BCHEMAOBAGTR2L3MBTL1
SCHEMBL4756430 0.71 FAAH (0.52) FAAHL3MBTL1
SCHEMBL12810017 0.70 KLK7 (0.42) BCHEMAOBAGTR2L3MBTL1
SCHEMBL16459394 0.70 BCHE (0.40) BCHEDRD2DRD4MAOBFAAH
SCHEMBL9942316 0.70 KLK7 (0.37) BCHEMAOBAGTR2ATML3MBTL1

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