SCHEMBL8620385

SCHEMBL8620385

c1ccc(CO[C]2CCC(N3CCN(c4ccncc4)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.50
MAPT P10636 2/20 0.47
F10 P00742 1/20 0.46
DRD3 P35462 2/20 0.45
DRD2 P14416 1/20 0.45
HRH3 Q9Y5N1 8/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH1 P35367 3/20 0.44
CYP2D6 P10635 2/20 0.43
TRPV6 Q9H1D0 1/20 0.42
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
HTR1A P08908 2/20 0.41
HRH2 P25021 2/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL8620387 0.81 MAPT (0.48) GRIN2BMAPTF10DRD3DRD2
SCHEMBL8613084 0.81 GRIN2B (0.54) GRIN2BMAPTDRD3DRD2HRH3
SCHEMBL8618953 0.78 GRIN2B (0.48) GRIN2BDRD3DRD2HRH3ALDH1A1
SCHEMBL3716319 0.77 L3MBTL1 (0.67) GRIN2BMAPTDRD3DRD2HRH3
Hydrochloric Acid SCHEMBL3710266 0.76 MAPT (0.60) MAPTDRD3DRD2ALDH1A1TRPV6
Hydrochloric Acid SCHEMBL3716101 0.76 L3MBTL1 (0.65) GRIN2BMAPTDRD3DRD2HRH3
SCHEMBL3784411 0.74 TRPV6 (0.64) MAPTALDH1A1TRPV6MBTD1L3MBTL3
SCHEMBL8613090 0.74 DRD2 (0.49) GRIN2BDRD3DRD2HRH3ALDH1A1
SCHEMBL7961303 0.74 F10 (0.54) F10HRH3HRH1HRH2
Hydrochloric Acid SCHEMBL3708908 0.74 MAPT (0.81) MAPTDRD2HTR1AMBTD1L3MBTL3

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
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 US disclosed