SCHEMBL7989406

SCHEMBL7989406

O=C(/C=C\C1=Cc2cnc3cccc(n23)S1)NC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.44
SIGMAR1 Q99720 2/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CXCR3 P49682 1/20 0.41
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL7989409 1.00 DRD4 (0.44) DRD4SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7986142 0.99 DRD4 (0.43) DRD4SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7986140 0.99 DRD4 (0.43) DRD4SIGMAR1DRD2HTR2AHTR2C
SCHEMBL7972507 0.95 SIGMAR1 (0.46) DRD4SIGMAR1DRD2HTR2AHTR2C
SCHEMBL7972512 0.95 SIGMAR1 (0.46) DRD4SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7982947 0.94 SIGMAR1 (0.45) DRD4SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7982951 0.94 SIGMAR1 (0.45) DRD4SIGMAR1DRD2HTR2AHTR2C
SCHEMBL7986125 0.89 LTA4H (0.44) MAOAMAOBALDH1A1BLM
SCHEMBL7971710 0.89 LTA4H (0.44) MAOAMAOBALDH1A1BLM
Hydrochloric Acid SCHEMBL7984715 0.88 LTA4H (0.43) HTR2AMAOAMAOBALDH1A1BLM

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