SCHEMBL6566902

SCHEMBL6566902

CCCCCCCCCCCCCCCCCCN1CCN(C(=O)c2ccc(C=O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.57
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
DRD2 P14416 3/20 0.50
SIGMAR1 Q99720 1/20 0.50
THRB P10828 1/20 0.48
GPR183 P32249 1/20 0.48
HTR2A P28223 1/20 0.47
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL4381167 0.95 GPR183 (0.53) PLA2G2ACA12CA1CA2CA9
SCHEMBL10724043 0.83 SIGMAR1 (0.70) PLA2G2ACA12CA1CA2CA9
SCHEMBL10722011 0.83 SIGMAR1 (0.70) PLA2G2ACA12CA1CA2CA9
SCHEMBL10723980 0.83 SIGMAR1 (0.70) PLA2G2ACA12CA1CA2CA9
SCHEMBL19562089 0.82 CA12 (0.58) PLA2G2ACA12CA1CA2CA9
SCHEMBL16980657 0.82 SIGMAR1 (0.72) PLA2G2AHRH2HRH1DRD2SIGMAR1
SCHEMBL6488394 0.82 PLA2G2A (0.60) PLA2G2ACA12CA1CA2CA9
SCHEMBL6489612 0.81 PLA2G2A (0.54) PLA2G2ACA12CA1CA2CA9
SCHEMBL4387836 0.80 HRH3 (0.46) PLA2G2AGPR183PARP1ALDH1A1
SCHEMBL1596601 0.80 DRD3 (0.59) DRD2

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-1456186-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A SB 2 /SB PHOSPHOLIPASE OF GROUP II Yang Ji Chemical Company Ltd. (KR) 2004-09-15 EP disclosed
WO-2003048139-A1 NOVEL INHIBITOR COMPOUNDS SPECIFIC OF SECRETED NON-PANCREATIC HUMAN A2 PHOSPHOLIPASE OF GROUP II YANG JI CHEMICAL COMPANY LTD. (KR) 2003-06-12 WO disclosed