SCHEMBL7987519

SCHEMBL7987519

O=C(NC1CCN(CCCc2ccc(F)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.44
DRD4 P21917 5/20 0.44
MCHR1 Q99705 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
SLC6A12 P48065 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
DRD3 P35462 2/20 0.39
HTR2A P28223 2/20 0.39
CACNA1F O60840 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD2 P14416 1/20 0.39
CNR1 P21554 1/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2C P28335 1/20 0.39

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 SCHEMBL7972057 0.99 PRKAA2 (0.44) PRKAA2DRD4MCHR1SIGMAR1SLC6A12
SCHEMBL7983602 0.97 DRD4 (0.45) PRKAA2DRD4MCHR1SIGMAR1SLC6A12
SCHEMBL7971899 0.92 DRD4 (0.52) PRKAA2DRD4SIGMAR1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL7982255 0.92 DRD4 (0.44) PRKAA2DRD4SIGMAR1HTR2AADRA1D
Hydrochloric Acid SCHEMBL7971892 0.92 DRD4 (0.52) PRKAA2DRD4SIGMAR1ADRA1DADRA1A
SCHEMBL7971755 0.90 DRD4 (0.53) PRKAA2DRD4SIGMAR1HTR2AADRA1D
SCHEMBL7973256 0.90 PRKAA2 (0.47) PRKAA2DRD4DRD3HTR2ACACNA1F
Hydrochloric Acid SCHEMBL7983770 0.89 DRD4 (0.52) PRKAA2DRD4SIGMAR1HTR2AADRA1D
Hydrochloric Acid SCHEMBL7972396 0.89 PRKAA2 (0.46) PRKAA2DRD4DRD3HTR2ACACNA1F
SCHEMBL7989275 0.89 CCR3 (0.47) CCR3

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed