SCHEMBL1573376

SCHEMBL1573376

O=C(c1cccc2[nH]ccc12)N1CCN2CCC1CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
MGLL Q99685 2/20 0.49
MAPK14 Q16539 1/20 0.48
CHRNA7 P36544 2/20 0.47
CCR3 P51677 1/20 0.47
CCR5 P51681 1/20 0.44
CHRM2 P08172 2/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
HTR3A P46098 1/20 0.42
HSD11B1 P28845 2/20 0.42
DHPS P49366 1/20 0.40

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
SCHEMBL4271018 0.84 HSD11B1 (0.54) MAPK14CHRNA7HTR3AHSD11B1
Hydrochloric Acid SCHEMBL4229087 0.83 HSD11B1 (0.53) MAPK14CHRNA7HTR3AHSD11B1
SCHEMBL1572573 0.80 CNR2 (0.53) CNR2CHRNA7HTR3A
SCHEMBL3947809 0.73 MGLL (0.62) CNR2MGLLMAPK14CCR3CCR5
SCHEMBL2216397 0.72 MAPK14 (0.64) CNR2MGLLMAPK14CCR3CCR5
SCHEMBL4030623 0.72 HSD11B1 (0.52) CNR2MGLLMAPK14CHRNA7CCR3
SCHEMBL16002958 0.71 MAPK14 (0.56) CNR2MGLLMAPK14CCR3CCR5
SCHEMBL3210544 0.70 MAPK14 (0.65) MGLLMAPK14CCR5
SCHEMBL2036317 0.70 MAPK14 (0.62) MGLLMAPK14CCR3CCR5
SCHEMBL1572778 0.70 CHRNA7 (0.52) CHRNA7HTR3A

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
EP-1745046-B1 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2011-04-13 EP claimed