SCHEMBL7468543

SCHEMBL7468543

O=C(CCCN1CCC(=Cc2ccc(F)cc2)CC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.59
HTR1A P08908 4/20 0.59
HTR2A P28223 3/20 0.59
DRD3 P35462 3/20 0.59
HTR7 P34969 2/20 0.59
HRH1 P35367 2/20 0.59
HTR2B P41595 2/20 0.59
TSHR P16473 1/20 0.55
KDM4E B2RXH2 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC6A4 P31645 1/20 0.54
MEN1 O00255 1/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD1 P21728 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
Hydrochloric Acid SCHEMBL8596935 0.87 TSHR (0.61) DRD2HTR1AHTR2ADRD3HTR7
Hydrochloric Acid SCHEMBL6984682 0.83 DRD2 (0.58) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL13904313 0.81 DRD2 (0.65) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL11541244 0.81 DRD2 (0.65) DRD2HTR1AHTR2ADRD3HTR7
Hydrochloric Acid SCHEMBL11545929 0.80 DRD2 (0.63) DRD2HTR1AHTR2ADRD3HTR7
Hydrochloric Acid SCHEMBL7457057 0.78 SRD5A2 (0.42) HTR1ASLC6A4SIGMAR1
SCHEMBL6234537 0.75 DRD2 (0.77) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL11834324 0.75 TSHR (0.67) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL11834858 0.75 TSHR (0.67) DRD2HTR1AHTR2ADRD3HTR7
SCHEMBL4496558 0.75 TSHR (0.76) DRD2HTR1AHTR2ADRD3HRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940401-B1 2-CARBONYLTHIAZOLE DERIVATIVES AND USE OF THE SAME TAISHO PHARMACEUTICAL CO LTD (JP) 2002-11-06 EP disclosed
US-6166033-A 2-carbonylthiazole derivatives and use of the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0940401-A1 2-CARBONYLTHIAZOLE DERIVATIVES AND USE OF THE SAME TAISHO PHARMACEUTICAL CO. LTD (JP) 1999-09-08 EP disclosed