SCHEMBL8565639

SCHEMBL8565639

CNc1nc(Cl)c(Sc2ccccc2)c(N2CCN(C)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 1.00
DRD2 P14416 4/20 1.00
DRD4 P21917 3/20 1.00
HRH4 Q9H3N8 1/20 0.50

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
SCHEMBL8564570 0.90 HTR1A (0.82) HTR1ADRD2DRD4
SCHEMBL8563375 0.89 HTR1A (0.79) HTR1ADRD2DRD4
SCHEMBL8567179 0.81 HTR1A (0.67) HTR1ADRD2DRD4HRH4
Mezilamine SCHEMBL2109086 0.80 HTR1A (1.00) HTR1ADRD2DRD4
SCHEMBL8564591 0.80 HTR1A (0.64) HTR1ADRD2DRD4
SCHEMBL11561867 0.78 HTR1A (0.70) HTR1ADRD2DRD4
SCHEMBL8569210 0.77 HTR1A (0.62) HTR1ADRD2DRD4HRH4
SCHEMBL11565489 0.76 HTR1A (0.67) HTR1ADRD2DRD4
Hydrochloric Acid SCHEMBL11565139 0.75 HTR1A (0.65) HTR1ADRD2DRD4
SCHEMBL11565197 0.74 HTR1A (0.64) HTR1ADRD2DRD4

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
EP-0826674-A1 NOVEL PYRIMIDINE DERIVATIVES EFFICACIOUS AS PSYCHOTROPIC DRUG AND PROCESS FOR THE PRODUCTION THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-03-04 EP disclosed