SCHEMBL11465718

SCHEMBL11465718

NC(=O)c1ccccc1NCCN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.51
HTR7 P34969 3/20 0.51
DRD4 P21917 5/20 0.50
DRD2 P14416 4/20 0.50
DRD3 P35462 3/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CACNA1G O43497 1/20 0.47
SLC6A4 P31645 1/20 0.47

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
SCHEMBL11457403 0.93 HTR1A (0.54) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL11447503 0.88 HTR1A (0.51) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL11447474 0.88 HTR1A (0.51) HTR1AHTR7DRD4DRD2
Methane SCHEMBL11602997 0.87 HTR1A (0.50) HTR1AHTR7DRD4DRD2
SCHEMBL11446726 0.87 HTR1A (0.53) HTR1AHTR7DRD4DRD2DRD3
SCHEMBL11456961 0.85 MAPT (0.56) HTR1AHTR7DRD4DRD2
SCHEMBL6933580 0.84 HTR1A (0.71) HTR1AHTR7DRD4DRD2ADRA1D
SCHEMBL11448262 0.84 HTR1A (0.58) HTR1AHTR7DRD2DRD3
SCHEMBL11602992 0.83 HTR1A (0.49) HTR1AHTR7DRD4DRD2
SCHEMBL11605140 0.83 HTR1A (0.49) HTR1AHTR7DRD4DRD2SLC6A4

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
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 US disclosed
US-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 US disclosed