SCHEMBL7983602

SCHEMBL7983602

O=C(NC1CCN(CCCCc2ccc(F)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.45
PRKAA2 P54646 1/20 0.44
HTR2A P28223 4/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR1A P08908 3/20 0.39
DRD3 P35462 3/20 0.39
HTR7 P34969 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
SLC6A12 P48065 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MCHR1 Q99705 1/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD5 P21918 2/20 0.39
CACNA1F O60840 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 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
SCHEMBL7987519 0.97 PRKAA2 (0.44) DRD4PRKAA2HTR2AKDM4ECYP1A2
Hydrochloric Acid SCHEMBL7972057 0.97 PRKAA2 (0.44) DRD4PRKAA2HTR2AKDM4ECYP1A2
SCHEMBL7971755 0.93 DRD4 (0.53) DRD4PRKAA2HTR2AKDM4ECYP1A2
Hydrochloric Acid SCHEMBL7983770 0.92 DRD4 (0.52) DRD4PRKAA2HTR2AKDM4ECYP1A2
SCHEMBL7971899 0.90 DRD4 (0.52) DRD4PRKAA2KDM4ESIGMAR1ADRA1D
Hydrochloric Acid SCHEMBL7982255 0.89 DRD4 (0.44) DRD4PRKAA2HTR2ASIGMAR1ADRA1D
Hydrochloric Acid SCHEMBL7971892 0.89 DRD4 (0.52) DRD4PRKAA2KDM4ESIGMAR1ADRA1D
SCHEMBL7973256 0.87 PRKAA2 (0.47) DRD4PRKAA2HTR2AHTR1ADRD3
Hydrochloric Acid SCHEMBL7972396 0.86 PRKAA2 (0.46) DRD4PRKAA2HTR2AHTR1ADRD3
SCHEMBL7983507 0.86 DRD4 (0.51) DRD4PRKAA2SIGMAR1

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